data_1x1f_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 1x1f _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.898 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.3 tp -75.69 142.23 42.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -122.98 -46.64 2.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.514 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 7.0 t80 -146.0 163.75 34.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 1.4 pt-20 -157.28 140.26 15.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.77 146.77 4.98 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -55.85 108.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.787 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.477 ' CD1' HG21 ' A' ' 95' ' ' THR . 27.7 tp -109.39 150.01 28.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.1 mt -105.52 125.73 51.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.443 ' HB ' ' CG ' ' A' ' 35' ' ' GLU . 23.6 mm -103.82 145.49 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.606 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 8.1 tttt . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.606 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 24.1 m-85 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.511 0.196 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.443 ' CG ' ' HB ' ' A' ' 26' ' ' ILE . 1.4 pt-20 -89.72 149.68 22.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.542 ' O ' ' CG ' ' A' ' 37' ' ' TYR . 31.1 t-80 -103.82 134.07 47.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.622 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' A' ' 36' ' ' HIS . 40.9 m-85 -168.24 145.76 4.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 72.0 t-105 -72.33 92.54 1.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.7 m -81.68 139.63 34.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -127.52 130.37 49.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 107' ' ' PHE . 0.5 OUTLIER -90.82 116.51 28.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -137.73 127.09 24.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.54 -93.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 p -146.82 19.16 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 110.352 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.8 m -124.95 125.19 43.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.422 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.6 mt -82.2 123.46 29.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -110.4 120.01 41.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 61' ' ' LEU . 8.6 m-85 -98.9 129.97 45.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.535 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 64.7 m-85 -123.54 177.12 5.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.6 p -110.69 -30.33 7.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.411 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -161.07 155.61 23.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -34.35 69.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -47.84 84.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 m -49.89 133.38 22.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.3 mp -99.53 -38.72 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.5 mm -95.98 114.69 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.535 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 42.0 p90 -57.72 128.94 39.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.0 p -50.78 -34.49 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.37 157.73 11.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -136.5 159.42 41.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 1.4 mt -120.54 -161.91 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -161.31 128.81 4.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.467 HD13 ' CG2' ' A' ' 112' ' ' THR . 1.2 pp -138.94 40.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.361 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.3 p -86.12 -33.24 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.14 17.37 17.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 tp -42.14 133.23 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.93 -27.97 19.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.377 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 167.94 -179.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 108.277 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.467 HD22 ' CG ' ' A' ' 105' ' ' ARG . 1.2 tt -132.44 128.53 37.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.9 p -105.79 163.01 13.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.366 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 9.0 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -100.29 117.88 35.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -130.52 113.52 14.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.447 ' CD2' ' HG3' ' A' ' 105' ' ' ARG . 3.7 p90 -135.35 155.67 50.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.3 m -109.99 134.97 51.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.356 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.443 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.7 mm? -84.35 105.77 15.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.1 t -83.98 119.68 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.42 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 1.5 mt -121.83 157.88 56.09 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.04 8.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -114.92 -58.43 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.42 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 4.1 tt0 -157.39 151.37 24.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.53 153.38 20.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.3 t -140.37 144.79 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -92.46 147.27 23.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.19 150.22 45.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -154.52 157.56 38.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.477 HG21 ' CD1' ' A' ' 24' ' ' LEU . 67.6 p -122.41 -161.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -95.57 -41.28 9.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -144.36 171.31 14.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.85 -36.67 70.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.432 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -52.9 -69.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.5 m -44.56 -50.6 9.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -44.78 -69.79 0.69 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.48 -34.58 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.514 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 1.9 mt-10 -64.26 -61.51 2.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.455 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 85.2 m95 -55.16 -64.2 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.009 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.467 ' CG ' HD22 ' A' ' 69' ' ' LEU . 4.1 ttp180 -37.96 -57.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -58.03 -56.24 26.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.449 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -51.11 -42.28 60.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 0.791 . . . . 0.0 111.026 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.478 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 1.4 mp -65.54 -58.2 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 35.5 mt -46.17 -25.72 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.412 ' N ' ' C ' ' A' ' 108' ' ' ILE . 82.0 m -81.17 -40.3 24.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.376 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 33.1 m -91.75 29.62 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.467 ' CG2' HD13 ' A' ' 63' ' ' ILE . 19.5 p -143.47 -48.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.441 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.17 -9.1 58.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 64.49 23.56 12.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.416 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -141.9 -156.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.001 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 97.1 t -135.53 127.97 17.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 127.52 10.75 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.474 1.776 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -99.64 3.95 45.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -109.85 57.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -123.74 -173.84 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.5 -0.18 8.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.454 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.3 OUTLIER -56.19 -176.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.561 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -110.12 -176.58 0.4 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.561 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.1 Cg_endo -75.06 -20.05 17.13 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.19 -19.91 56.23 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.454 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 6.6 mm100 -95.22 -42.2 8.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.7 t -52.81 -46.33 51.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 48.4 mt -40.31 -50.78 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -47.01 -54.02 11.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 43.1 mt -50.35 -44.45 54.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -63.43 -51.9 63.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.624 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.57 -57.13 14.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.413 HG21 ' CE1' ' A' ' 107' ' ' PHE . 55.3 t -47.02 -43.31 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.416 ' CD2' ' HA ' ' A' ' 115' ' ' SER . 3.7 tp -57.65 -69.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -45.22 -31.87 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.346 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.72 -51.34 65.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -72.31 -26.04 61.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.316 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -52.43 -54.61 29.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.23 -44.43 22.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.288 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 111.007 -0.421 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.457 ' C ' ' CD1' ' A' ' 18' ' ' LEU . 1.4 tm? -59.52 135.12 57.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.1 m-30 -115.18 -24.34 8.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.423 ' N ' HD13 ' A' ' 18' ' ' LEU . 4.2 t80 -176.79 144.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 110.986 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.98 123.3 9.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.24 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.67 136.45 3.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -44.11 99.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.2 tp -106.68 148.31 28.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.52 HD23 ' CG ' ' A' ' 36' ' ' HIS . 11.2 mt -96.48 127.08 42.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.4 mm -114.45 134.85 56.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.562 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 48.6 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.503 0.192 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 61.9 mm-40 -102.66 138.17 39.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.52 ' CG ' HD23 ' A' ' 25' ' ' LEU . 40.5 m80 -88.37 99.14 12.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.611 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 31.3 m-85 -121.79 138.81 54.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -65.81 87.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 80.4 m -82.61 137.52 34.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.391 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -128.99 130.76 47.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.91 117.16 29.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -140.64 128.56 21.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.32 -95.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 p -150.16 20.21 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 0.739 . . . . 0.0 110.408 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.45 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 3.3 m -124.38 119.68 29.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.42 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.9 mt -73.52 113.52 10.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.365 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' A' ' 45' ' ' THR . 83.5 m-85 -101.58 122.28 43.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -102.33 142.49 33.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.566 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 73.4 m-85 -138.91 159.04 43.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.8 p -86.86 -31.51 20.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.391 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -164.5 170.12 16.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -62.96 -45.05 94.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -51.0 -51.08 56.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.8 m -44.34 124.78 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.5 mm -88.55 -50.09 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mp -82.75 140.51 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.566 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 55.1 p90 -78.49 126.48 30.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.05 -43.14 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.343 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.07 156.94 33.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -138.93 162.48 34.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.8 mt -140.58 176.22 8.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.445 ' OD1' ' CG1' ' A' ' 64' ' ' VAL . 13.5 t70 -141.11 126.85 19.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.7 pt -126.91 30.28 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.445 ' CG1' ' OD1' ' A' ' 62' ' ' ASP . 13.4 p -73.04 -32.09 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -94.79 18.51 11.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.401 ' CD1' HD12 ' A' ' 84' ' ' LEU . 5.3 tp -40.2 133.05 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.441 ' O ' ' CB ' ' A' ' 68' ' ' CYS . 1.2 m -91.2 -28.05 18.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.413 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 67' ' ' THR . 0.8 OUTLIER 164.44 -179.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 108.294 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.564 HD11 ' CD1' ' A' ' 82' ' ' PHE . 1.6 tt -145.05 136.03 24.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.424 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 15.3 t -131.71 -161.89 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.37 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.451 ' HA ' ' CA ' ' A' ' 98' ' ' THR . 31.2 p . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.444 ' CB ' ' HA3' ' A' ' 101' ' ' GLY . . . -92.26 126.94 37.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -133.07 115.17 14.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.564 ' CD1' HD11 ' A' ' 69' ' ' LEU . 5.9 p90 -139.45 157.17 46.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.0 m -114.28 120.63 41.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.433 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.431 HD13 ' CD1' ' A' ' 69' ' ' LEU . 3.1 mm? -72.01 105.2 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.2 t -79.64 118.1 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.483 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 1.3 mt -121.13 157.62 54.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.72 8.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -114.83 -58.81 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.483 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 8.3 tt0 -156.68 149.06 23.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -87.24 145.02 26.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 92' ' ' GLN . 71.4 t -125.27 141.39 45.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.416 ' N ' HG13 ' A' ' 91' ' ' VAL . 78.7 mt-30 -101.92 136.52 41.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.0 mp -126.29 151.98 46.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -148.46 142.64 26.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.1 p -118.86 165.23 14.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.63 -50.48 20.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 110.266 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -123.65 136.28 54.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.451 ' CA ' ' HA ' ' A' ' 79' ' ' CYS . 8.5 t -38.49 -45.7 1.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -45.71 -66.44 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.1 t -40.82 -48.22 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.444 ' HA3' ' CB ' ' A' ' 80' ' ' ALA . . . -45.18 -59.32 4.62 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.41 -41.34 19.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.09 -65.83 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.412 ' O ' ' C ' ' A' ' 105' ' ' ARG . 68.7 m95 -51.15 -65.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 108.045 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.46 ' CG ' HD23 ' A' ' 69' ' ' LEU . 9.4 ttp180 -37.29 -66.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -48.21 -50.38 22.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.47 -41.15 80.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 111' ' ' VAL . 1.4 mp -64.89 -60.02 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.6 mt -45.44 -26.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.41 ' N ' ' C ' ' A' ' 108' ' ' ILE . 99.0 m -79.84 -40.69 27.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 108' ' ' ILE . 34.2 m -91.66 29.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 108' ' ' ILE . 24.9 p -147.92 -45.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.409 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.36 -12.11 50.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 110.329 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 64.45 26.27 13.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.261 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.49 -162.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.979 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 60.8 t -132.47 122.9 18.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.52 5.3 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.801 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -90.85 30.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -134.47 51.14 2.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.2 m -121.58 138.06 53.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -69.89 -9.83 56.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.414 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.4 OUTLIER -50.95 -179.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.579 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -109.05 -175.73 0.36 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.579 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -75.02 -19.95 17.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -83.38 -22.85 55.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.414 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 6.9 mm100 -94.68 -43.48 8.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 54.0 t -52.31 -43.9 41.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 124' ' ' PRO . 30.0 mt -41.56 -50.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -44.54 -55.35 5.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 19.6 mt -48.23 -46.42 35.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -61.94 -46.3 89.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.598 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -64.15 -59.61 4.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 56.1 t -44.89 -44.22 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.6 tp -55.51 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -47.33 -35.08 7.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.35 -51.98 66.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 2.0 pt-20 -71.73 -26.26 62.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 19.0 mttm -52.58 -55.17 24.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.7 -50.36 13.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 110.96 -0.438 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.447 ' C ' ' CD1' ' A' ' 18' ' ' LEU . 1.4 tm? -56.49 135.87 54.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -114.07 -26.13 8.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.425 ' N ' HD12 ' A' ' 18' ' ' LEU . 7.9 t80 -176.09 144.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -143.52 140.13 30.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.97 125.31 0.85 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.423 ' CG ' ' NE2' ' A' ' 36' ' ' HIS . 7.4 m-85 -37.53 98.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 0.791 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.46 ' HB3' ' CB ' ' A' ' 39' ' ' THR . 20.3 tp -100.99 150.05 23.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.9 mt -101.95 124.98 48.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.524 HG13 ' CE1' ' A' ' 48' ' ' PHE . 11.4 mm -112.88 137.33 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.526 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.526 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 50.6 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.493 0.187 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.502 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 49.9 mm-40 -103.6 149.84 24.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.423 ' NE2' ' CG ' ' A' ' 23' ' ' PHE . 50.0 t-80 -97.02 103.55 15.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.578 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.502 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 48.3 m-85 -130.34 148.08 52.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' TYR . 74.4 t-105 -72.83 90.84 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.46 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 46.0 m -85.04 137.11 33.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.391 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -133.6 133.61 42.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.442 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.8 OUTLIER -90.88 116.37 28.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -134.89 127.02 29.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.09 -103.92 0.29 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 p -138.7 14.97 2.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 110.37 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.429 HG22 ' CZ ' ' A' ' 47' ' ' PHE . 1.5 m -123.99 125.2 44.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.2 mt -76.04 125.71 29.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.429 ' CZ ' HG22 ' A' ' 45' ' ' THR . 91.3 m-85 -114.31 120.01 38.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.524 ' CE1' HG13 ' A' ' 26' ' ' ILE . 38.4 m-85 -101.17 137.57 39.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.455 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 75.9 m-85 -130.65 166.69 20.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.2 p -97.06 -31.63 12.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.443 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -159.44 175.16 13.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -79.94 -21.64 43.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -76.91 -18.89 58.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -75.72 135.77 40.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 110.037 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.4 mm -95.66 -47.12 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.4 mt -88.52 134.39 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.455 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 50.8 p90 -74.12 130.92 40.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.0 p -53.06 -37.79 27.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -164.38 156.93 16.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -136.35 164.79 27.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.1 mt -136.36 178.62 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.33 133.62 28.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.2 pt -134.46 14.55 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.82 -31.18 50.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.89 11.82 36.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -41.52 127.02 3.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -77.21 -43.81 32.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -179.11 -178.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 108.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.538 ' CD2' ' NH1' ' A' ' 105' ' ' ARG . 2.2 tt -135.86 125.6 25.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.8 p -99.01 -168.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.443 ' CB ' ' HA3' ' A' ' 101' ' ' GLY . . . -124.71 121.07 33.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -134.16 115.48 14.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.408 ' CD2' ' HG3' ' A' ' 105' ' ' ARG . 8.9 p90 -140.39 153.05 46.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.6 m -109.21 145.67 35.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.393 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -92.27 116.16 28.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 28.9 t -92.58 121.85 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 1.3 mt -124.6 157.88 63.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.21 9.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -114.58 -55.99 2.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.498 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 4.9 tt0 -160.44 149.16 16.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -88.99 154.88 19.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.6 t -135.89 156.86 38.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -102.59 143.06 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.3 128.38 35.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -141.5 142.63 33.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.1 p -119.24 -159.23 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -96.33 -67.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -109.05 169.65 8.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.57 -40.49 97.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.372 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -48.4 -61.33 2.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -23.04 34.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.443 ' HA3' ' CB ' ' A' ' 80' ' ' ALA . . . -68.72 -62.96 3.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -53.2 -26.6 18.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.605 ' OE1' ' CD2' ' A' ' 107' ' ' PHE . 1.2 mm-40 -63.38 -69.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.486 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 93.9 m95 -53.16 -56.74 14.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 108.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.538 ' NH1' ' CD2' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -41.28 -41.8 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.9 -57.09 3.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.565 1.166 . . . . 0.0 110.976 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.605 ' CD2' ' OE1' ' A' ' 103' ' ' GLU . 2.2 m-85 -46.21 -42.69 14.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 104' ' ' TRP . 2.0 mp -67.91 -59.01 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.4 mt -44.69 -26.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.423 ' CG2' ' O ' ' A' ' 130' ' ' LEU . 94.0 m -78.6 -42.17 29.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.37 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 108' ' ' ILE . 33.8 m -91.59 30.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 108' ' ' ILE . 30.2 p -149.26 -45.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.422 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -88.19 -6.99 57.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.416 HD23 ' N ' ' A' ' 114' ' ' LEU . 2.5 mm? 57.93 23.83 10.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.6 t -139.18 -169.95 2.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 62.0 t -128.4 120.33 20.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 122.74 7.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.522 1.801 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.33 -11.62 34.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -93.22 64.44 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.1 m -132.48 166.66 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.84 -6.15 40.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.967 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.471 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.2 OUTLIER -55.36 -178.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.557 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -109.43 -176.34 0.39 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.01 -15.15 20.88 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.526 1.803 . . . . 0.0 110.959 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -91.23 -27.13 19.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.471 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 3.0 mm100 -85.93 -35.24 20.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.9 t -60.49 -33.34 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 37.8 mt -49.16 -49.48 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.432 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 7.2 mmmm -46.62 -56.59 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.423 ' O ' ' CG2' ' A' ' 110' ' ' THR . 11.3 mt -47.59 -44.79 26.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -63.14 -54.75 32.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.598 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -58.3 -60.37 3.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 61.3 t -43.1 -45.88 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.4 ' O ' ' CG ' ' A' ' 137' ' ' GLU . 3.3 tp -55.44 -70.85 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -46.65 -32.58 3.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -62.57 -44.5 96.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 4.0 pt-20 -80.14 -28.57 38.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 31.7 mttt -51.18 -41.32 60.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.43 -65.89 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.358 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.431 ' CD2' ' OE1' ' A' ' 21' ' ' GLU . 8.0 tp -73.28 142.02 47.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -122.63 -52.09 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.6 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 2.9 t80 -144.2 159.48 42.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.431 ' OE1' ' CD2' ' A' ' 18' ' ' LEU . 5.1 pm0 -162.06 122.18 2.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.49 135.78 3.6 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -38.93 100.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 93' ' ' LEU . 21.0 tp -106.98 154.24 21.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.52 HD21 ' CG ' ' A' ' 36' ' ' HIS . 9.2 mt -101.31 127.12 48.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.5 mm -114.88 130.06 69.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 1.1 ttmt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 61.4 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.472 0.177 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.544 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 55.5 mm-40 -102.23 132.85 47.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.52 ' CG ' HD21 ' A' ' 25' ' ' LEU . 32.5 m80 -81.77 107.96 14.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.544 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 24.7 m-85 -132.46 140.66 48.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' TYR . 74.0 t-105 -67.58 90.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 107.977 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 55.4 m -83.32 136.35 34.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -123.92 125.34 44.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 107' ' ' PHE . 0.4 OUTLIER -90.98 116.41 28.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' THR . 25.6 mtt180 -136.88 127.02 26.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.35 -91.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.429 1.081 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.533 ' HB ' ' CG1' ' A' ' 64' ' ' VAL . 1.4 p -148.5 45.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.4 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 78.0 m -146.16 117.04 7.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.421 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.0 mt -78.89 100.05 7.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -87.95 121.56 30.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -104.49 131.83 51.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.401 ' O ' ' N ' ' A' ' 38' ' ' TRP . 66.0 m-85 -128.43 159.39 35.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.6 p -74.68 -27.36 60.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.354 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -167.54 -70.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.405 ' C ' ' N ' ' A' ' 54' ' ' SER . 7.7 ttpt -172.2 -61.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.41 -31.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 52' ' ' LYS . 19.6 t -54.1 120.15 6.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -85.05 -55.19 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.0 mt -85.85 97.4 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -37.39 136.94 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.9 p -58.43 -36.06 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -169.79 153.96 5.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -134.32 163.2 30.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.3 mt -146.5 175.48 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.8 149.7 40.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 7.2 pt -129.67 17.32 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.533 ' CG1' ' HB ' ' A' ' 44' ' ' THR . 16.5 m -62.8 -31.9 53.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.428 ' N ' HG21 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -99.19 12.07 37.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.446 ' CD2' ' HB ' ' A' ' 112' ' ' THR . 0.5 OUTLIER -41.86 129.9 3.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -86.82 -31.3 20.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.416 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 167.3 -179.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 108.276 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.476 HD22 ' CG ' ' A' ' 105' ' ' ARG . 0.7 OUTLIER -129.54 144.03 51.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 10.5 p -114.28 164.86 13.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 110.266 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 76.6 m . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.17 113.75 26.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -136.54 113.51 10.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.494 ' CB ' ' O ' ' A' ' 70' ' ' THR . 5.9 p90 -141.09 157.51 45.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.8 m -117.5 137.91 52.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -86.38 109.32 18.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 56.9 t -85.49 120.72 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.2 mt -125.5 156.71 70.09 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 0.57 8.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -113.11 -58.07 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -156.69 150.07 24.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -89.46 136.13 33.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 92' ' ' GLN . 55.6 t -117.75 138.77 47.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.409 ' N ' HG13 ' A' ' 91' ' ' VAL . 68.3 mt-30 -100.85 138.47 37.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.469 ' CD2' HD22 ' A' ' 24' ' ' LEU . 5.4 mp -126.71 160.75 29.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -152.24 135.18 15.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 96' ' ' GLU . 69.7 p -119.35 -36.53 3.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 95' ' ' THR . 4.7 mt-10 77.85 -53.91 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -82.55 131.53 35.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 m -59.77 -48.5 81.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -46.97 -68.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.84 -41.8 78.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.048 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -52.35 -62.76 5.46 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' A' ' 121' ' ' SER . 0.7 OUTLIER -57.25 -31.66 65.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.6 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 3.7 mt-10 -60.45 -68.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -48.59 -64.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 108.032 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.476 ' CG ' HD22 ' A' ' 69' ' ' LEU . 7.8 ttp180 -39.34 -36.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.91 -56.22 4.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.515 ' CE2' HG21 ' A' ' 133' ' ' VAL . 10.3 m-85 -53.1 -39.4 63.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.784 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.5 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 1.5 mp -70.65 -59.89 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 43.4 mt -44.51 -25.98 0.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 134' ' ' LEU . 90.2 m -79.74 -41.73 26.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.376 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.5 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 31.0 m -90.65 29.29 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.446 ' HB ' ' CD2' ' A' ' 66' ' ' LEU . 18.0 p -146.51 -44.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.81 -15.57 44.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 68.7 29.04 5.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.54 -160.5 1.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 86.0 t -128.0 127.09 23.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 130.04 12.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.771 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -93.8 -14.6 26.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -89.31 59.93 5.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 1.4 m -128.84 147.13 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.416 ' N ' ' OE1' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -86.9 -8.64 57.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.064 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.425 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.2 OUTLIER -51.86 -179.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.573 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -108.74 -175.95 0.38 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.2 Cg_endo -75.05 -16.0 20.32 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.528 1.804 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.94 -29.17 23.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.425 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 5.7 mm100 -86.63 -40.05 15.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 130' ' ' LEU . 48.1 t -54.4 -39.09 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.42 ' CG2' ' OE2' ' A' ' 132' ' ' GLU . 28.1 mt -42.86 -48.97 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.486 ' O ' ' CG2' ' A' ' 133' ' ' VAL . 5.7 mmmm -52.23 -45.56 65.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 127' ' ' VAL . 45.5 mt -60.53 -35.01 74.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -75.7 -54.05 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.643 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.42 ' OE2' ' CG2' ' A' ' 128' ' ' ILE . 44.4 mt-10 -59.83 -48.64 80.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.515 HG21 ' CE2' ' A' ' 107' ' ' PHE . 54.3 t -53.6 -41.45 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.466 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 3.3 tp -60.02 -67.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -51.08 -23.01 2.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 3.6 mmt180 -71.15 -52.87 16.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.477 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 1.0 OUTLIER -71.3 -27.84 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.477 ' N ' ' HG2' ' A' ' 137' ' ' GLU . 30.8 mttt -55.41 -41.82 73.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -65.85 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 9.6 mtp85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 110.978 -0.432 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.454 ' C ' ' CD1' ' A' ' 18' ' ' LEU . 1.4 tm? -65.17 136.05 56.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.571 ' CG ' ' CG1' ' A' ' 133' ' ' VAL . 19.4 m-85 -113.21 -26.88 8.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.472 ' HB2' ' CE2' ' A' ' 107' ' ' PHE . 11.3 t80 -177.08 148.6 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 1.4 pt-20 -145.68 129.52 17.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.62 148.9 11.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.425 ' CG ' ' CE1' ' A' ' 36' ' ' HIS . 5.0 m-85 -58.19 99.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.2 tp -99.87 149.5 23.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.36 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 mt -101.71 121.06 41.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.57 HG13 ' CE1' ' A' ' 48' ' ' PHE . 12.6 mm -110.05 139.31 33.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.562 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 3.8 tttt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.562 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 43.1 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.439 0.161 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.401 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 63.7 mm-40 -107.95 146.73 32.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 110.325 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.425 ' CE1' ' CG ' ' A' ' 23' ' ' PHE . 6.9 t-80 -94.43 115.97 28.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.561 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 32.5 m-85 -142.88 145.88 33.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.526 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 66.1 t-105 -73.45 85.14 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 107.977 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.43 HG21 ' CD1' ' A' ' 48' ' ' PHE . 40.6 m -81.71 136.73 35.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.428 1.08 . . . . 0.0 110.381 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.449 ' HG2' ' CB ' ' A' ' 21' ' ' GLU . 46.3 mt-10 -128.35 131.13 48.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.572 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.2 OUTLIER -90.7 116.4 28.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.459 ' HB2' ' CD2' ' A' ' 47' ' ' PHE . 8.6 mtt180 -136.57 127.89 28.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.4 -101.15 0.11 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -140.93 13.81 2.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 110.403 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.8 m -119.32 129.48 54.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.417 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.1 mt -79.86 117.58 20.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.459 ' CD2' ' HB2' ' A' ' 42' ' ' ARG . 76.0 m-85 -103.95 120.46 41.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.57 ' CE1' HG13 ' A' ' 26' ' ' ILE . 75.3 m-85 -103.63 144.0 32.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -133.92 146.43 50.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 p -73.62 -32.39 64.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.381 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -176.32 164.24 2.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -50.54 -46.57 57.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -44.56 -42.99 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -58.12 133.61 55.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.0 pp -110.02 -35.95 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.441 ' CG2' ' N ' ' A' ' 57' ' ' TYR . 46.6 mm -74.18 -106.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 0.2 OUTLIER 179.22 147.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.8 p -86.06 -34.79 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.59 179.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -161.27 167.58 25.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.0 mt -140.81 178.15 7.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -129.98 127.82 40.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.349 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.0 pt -126.86 21.34 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.7 p -76.01 -33.27 24.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.14 14.09 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.8 tp -41.12 127.74 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -83.87 -28.98 27.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 166.8 -177.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 108.363 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.83 130.3 39.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.103 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.6 p -103.3 171.6 7.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.435 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 63.2 m . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.403 ' CB ' ' HA3' ' A' ' 101' ' ' GLY . . . -88.93 115.95 26.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -133.96 118.5 17.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 93' ' ' LEU . 7.8 p90 -147.22 151.39 36.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.5 m -109.66 143.63 39.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.407 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -90.6 113.14 25.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.5 t -90.96 112.86 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 mt -119.17 156.18 52.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.74 8.55 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.488 1.783 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -113.07 -58.49 2.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -155.87 149.69 25.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -92.81 145.06 24.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.8 t -130.12 156.72 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.365 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -108.49 141.93 39.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.345 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.46 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 1.3 mp -132.46 139.93 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -147.14 143.96 28.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.4 p -120.27 170.58 9.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -117.45 36.51 4.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -176.75 124.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -45.5 -40.14 8.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -60.59 -61.88 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.5 m -42.94 -43.41 4.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.403 ' HA3' ' CB ' ' A' ' 80' ' ' ALA . . . -51.87 -68.77 1.39 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -54.53 -30.62 54.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 110.306 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.2 -67.38 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.572 ' CZ3' ' HB2' ' A' ' 41' ' ' LEU . 72.9 m95 -58.3 -60.84 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -38.93 -52.09 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.62 -53.18 29.47 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.099 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.472 ' CE2' ' HB2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -51.23 -41.83 60.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 111.008 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 104' ' ' TRP . 1.9 mp -66.39 -60.23 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.4 mt -45.61 -25.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 134' ' ' LEU . 80.6 m -80.32 -40.56 26.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.481 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 28.3 m -92.27 28.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 108' ' ' ILE . 22.4 p -146.6 -45.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.74 -16.12 39.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 69.69 25.8 5.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -144.86 -160.17 1.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 66.9 t -134.35 122.8 16.17 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 124.51 8.69 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -85.85 -11.98 51.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -91.01 64.14 5.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 15.6 m -134.89 139.22 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -4.73 51.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.466 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.6 OUTLIER -52.68 179.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.564 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -106.7 -176.29 0.41 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.564 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.96 -21.52 15.85 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -84.66 -19.95 59.07 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.466 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 6.2 mm100 -96.05 -41.52 8.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 25.3 t -55.03 -41.29 58.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.441 ' CD1' ' O ' ' A' ' 124' ' ' PRO . 33.6 mt -44.93 -50.77 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -43.2 -58.84 2.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 16.0 mt -46.27 -44.95 16.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -61.62 -55.29 32.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.581 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -58.99 -60.55 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.17 . . . . 0.0 110.312 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.571 ' CG1' ' CG ' ' A' ' 19' ' ' TYR . 95.4 t -46.21 -48.58 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.455 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 0.5 OUTLIER -44.26 -67.91 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -46.34 -52.96 11.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' A' ' 136' ' ' ARG . 1.1 mpt_? -44.94 -35.57 2.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 138' ' ' LYS . 5.4 tp10 -81.89 -48.74 11.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 137' ' ' GLU . 51.9 mttt -38.86 -33.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 137' ' ' GLU . 0.0 OUTLIER -67.29 -69.47 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 110.965 -0.437 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 tp -73.74 150.45 41.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.402 ' CG ' HG13 ' A' ' 133' ' ' VAL . 21.6 m-85 -127.75 -50.32 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.595 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 16.2 t80 -149.06 154.14 38.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.52 151.24 36.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.65 141.75 3.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -51.93 105.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.746 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.9 tp -106.72 160.34 15.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 mt -114.69 121.2 42.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 mm -110.99 129.37 66.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.556 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.556 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 71.4 m-85 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.488 0.185 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.534 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 21.7 mm-40 -107.65 140.6 40.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -80.98 124.29 29.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.581 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 40.0 m-85 -144.87 135.78 24.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' TYR . 74.9 t-105 -63.69 86.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 107.985 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.418 HG22 ' CH2' ' A' ' 104' ' ' TRP . 65.6 m -81.65 130.67 35.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.405 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -122.41 127.85 50.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.02 118.75 30.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -140.18 127.45 21.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.18 -96.58 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 p -147.36 22.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 0.789 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.414 HG23 ' CE2' ' A' ' 47' ' ' PHE . 1.7 m -124.92 121.04 33.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.8 mt -76.79 114.64 15.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.414 ' CE2' HG23 ' A' ' 45' ' ' THR . 69.6 m-85 -106.39 118.78 37.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -103.11 139.37 38.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.545 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 69.5 m-85 -133.83 159.13 41.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.8 p -85.8 -32.25 21.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 110.357 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -166.6 154.03 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -58.48 -23.81 58.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -67.97 -30.06 69.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -73.36 135.31 44.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -90.18 -42.42 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.6 mp -89.37 147.51 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 50.6 p90 -87.1 125.04 33.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.8 p -48.42 -44.43 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.3 156.12 30.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.482 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 7.2 pttt -136.74 160.93 37.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mt -130.87 -179.52 5.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -146.52 125.35 12.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.434 ' CD1' HG21 ' A' ' 108' ' ' ILE . 16.1 pt -125.79 17.51 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.3 p -61.85 -40.57 87.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.26 16.54 11.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.44 129.1 8.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.25 -33.48 29.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.441 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.11 -172.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 108.297 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -138.04 130.04 28.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.475 ' OG1' ' N ' ' A' ' 71' ' ' GLU . 1.9 t -117.69 179.56 4.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.475 ' N ' ' OG1' ' A' ' 70' ' ' THR . 23.2 mt-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.6 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.411 ' CB ' ' HA3' ' A' ' 101' ' ' GLY . . . -88.71 114.32 25.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -122.02 115.2 22.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.507 ' CE1' ' HB3' ' A' ' 93' ' ' LEU . 10.6 p90 -140.26 155.69 46.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.5 m -114.55 137.31 52.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.421 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.472 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.3 mm? -84.26 110.11 18.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 43.1 t -82.61 121.91 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 1.1 mt -125.33 156.56 69.87 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.88 8.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -114.36 -57.46 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.481 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 3.9 tt0 -158.8 149.96 20.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.91 145.72 25.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 74.0 t -126.35 146.54 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -97.04 131.84 43.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.507 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -125.69 121.67 34.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.507 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -125.96 149.71 48.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.4 p -122.77 159.79 27.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.54 -60.68 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -106.08 -170.36 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 t -89.96 -42.31 11.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -50.85 -67.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.2 p -47.99 -27.23 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.411 ' HA3' ' CB ' ' A' ' 80' ' ' ALA . . . -55.81 -56.72 22.44 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.413 1.071 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -35.79 81.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.763 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.595 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 2.2 tt0 -47.74 -60.24 2.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.454 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 77.6 m95 -60.52 -64.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 104' ' ' TRP . 0.6 OUTLIER -37.44 -53.94 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -58.56 -56.56 24.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.435 ' CE1' HG23 ' A' ' 133' ' ' VAL . 1.0 OUTLIER -55.03 -40.91 70.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 111.02 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.476 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 1.5 mp -65.05 -57.88 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.4 mt -45.13 -27.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 134' ' ' LEU . 89.5 m -78.98 -42.02 27.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.413 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.476 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 33.6 m -90.64 30.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 108' ' ' ILE . 25.4 p -146.09 -45.36 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.54 -16.12 33.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 70.43 23.51 4.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 t -141.62 -164.98 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 50.4 t -131.06 124.94 20.87 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.03 4.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.793 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -92.23 -19.04 22.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -89.81 16.52 7.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.91 -170.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -117.19 -30.7 5.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.052 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.426 ' CD2' ' HA ' ' A' ' 103' ' ' GLU . 1.4 tp -40.66 159.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.601 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.3 mm? -65.23 169.58 5.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.601 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -74.99 -7.57 19.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.443 ' HA2' ' CD1' ' A' ' 128' ' ' ILE . . . -97.07 -35.13 5.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -72.76 -41.55 64.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.2 t -51.2 -34.2 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.443 ' CD1' ' HA2' ' A' ' 125' ' ' GLY . 29.3 mt -50.1 -47.18 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -45.08 -55.47 5.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.8 mt -46.75 -44.73 19.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -59.48 -43.81 93.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.611 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -71.25 -53.79 13.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.435 HG23 ' CE1' ' A' ' 107' ' ' PHE . 43.8 t -51.49 -38.82 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.455 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 3.2 tp -60.29 -72.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -41.04 -30.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -52.44 57.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.558 ' CB ' ' NH2' ' A' ' 140' ' ' ARG . 1.4 pt-20 -71.43 -28.1 63.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.447 ' HG3' ' CD1' ' A' ' 134' ' ' LEU . 13.5 mttm -53.39 -45.67 69.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -55.96 -37.11 68.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.558 ' NH2' ' CB ' ' A' ' 137' ' ' GLU . 31.6 mtm105 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.452 ' CG ' ' HD2' ' A' ' 136' ' ' ARG . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.473 ' C ' ' CD1' ' A' ' 18' ' ' LEU . 1.1 tm? -60.63 135.12 57.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.53 ' CD2' HG13 ' A' ' 133' ' ' VAL . 19.3 m-30 -108.68 -29.46 8.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.533 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 12.9 t80 -179.0 151.55 0.52 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -141.92 167.07 23.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.06 140.3 3.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.125 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -54.22 98.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.0 tp -100.07 157.95 16.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.462 HD22 ' CG ' ' A' ' 36' ' ' HIS . 8.5 mt -111.06 117.13 32.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.557 HG13 ' CE1' ' A' ' 48' ' ' PHE . 17.3 mm -105.17 125.41 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.557 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 2.2 ttmt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.557 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 61.6 m-85 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.453 0.168 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.534 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 56.0 mm-40 -105.47 140.67 38.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.462 ' CG ' HD22 ' A' ' 25' ' ' LEU . 77.0 m80 -88.74 110.73 21.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.578 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 37.1 m-85 -131.82 137.15 47.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' TYR . 76.1 t-105 -62.61 85.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.0 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 37' ' ' TYR . 90.1 m -83.48 130.01 35.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -122.48 133.34 54.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.4 OUTLIER -90.96 116.35 28.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -132.33 127.25 35.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.438 ' HA2' ' CE2' ' A' ' 19' ' ' TYR . . . 50.0 -100.9 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 p -137.53 15.21 2.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 110.344 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.481 HG21 ' CE1' ' A' ' 47' ' ' PHE . 6.2 m -122.0 128.27 51.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.3 mt -82.22 130.67 35.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.481 ' CE1' HG21 ' A' ' 45' ' ' THR . 65.3 m-85 -120.39 119.96 34.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.557 ' CE1' HG13 ' A' ' 26' ' ' ILE . 22.3 m-85 -100.7 135.22 42.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.054 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.492 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 68.2 m-85 -130.43 151.57 50.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.954 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.422 ' CG2' ' HB ' ' A' ' 58' ' ' VAL . 13.1 p -84.14 -31.98 24.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -157.29 165.44 35.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -64.83 -33.87 77.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.33 -43.23 95.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.6 m -47.05 129.69 12.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -98.26 -43.26 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.5 mm -91.63 108.0 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.492 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 50.8 p90 -50.53 131.0 24.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.422 ' HB ' ' CG2' ' A' ' 50' ' ' THR . 12.4 p -51.65 -38.31 21.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -167.34 155.55 9.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.417 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 5.5 pttt -132.29 159.73 38.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.4 ' CD1' HG13 ' A' ' 91' ' ' VAL . 4.7 mt -128.61 175.29 8.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -137.22 127.67 26.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.9 pt -132.61 24.21 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.9 p -73.26 -31.7 35.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.72 17.6 20.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 tp -44.16 128.38 5.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -81.77 -35.42 29.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 174.51 -179.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 108.278 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -128.35 126.98 41.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.8 p -103.73 172.32 6.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.402 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.264 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 36.7 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -105.37 117.47 34.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -134.35 113.84 12.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.478 ' CE1' ' HB3' ' A' ' 93' ' ' LEU . 7.6 p90 -139.91 149.39 43.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.0 m -107.52 139.5 41.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.402 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.2 mm? -84.89 106.64 16.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.1 t -83.54 112.19 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 mt -116.48 157.57 45.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -0.51 10.06 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.427 1.751 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -112.72 -58.92 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -154.85 148.47 25.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -88.76 139.01 30.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.4 HG13 ' CD1' ' A' ' 61' ' ' LEU . 73.7 t -122.47 154.39 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -105.41 143.46 33.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.478 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -134.22 130.67 37.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 5.6 ttpt -134.15 143.18 47.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 34.4 p -112.73 -166.14 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 110.421 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -112.96 -56.82 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -103.18 175.41 5.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 99.9 m -69.83 -53.06 19.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 100' ' ' SER . 31.1 tt0 -46.49 -62.74 1.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -39.09 -35.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.944 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.92 -67.95 1.91 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -55.97 -28.83 58.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.341 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.533 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 1.5 mt-10 -59.84 -63.01 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 41' ' ' LEU . 90.9 m95 -63.69 -61.39 2.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 107.98 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 104' ' ' TRP . 9.0 ttp180 -38.36 -50.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.05 -52.2 34.17 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.414 ' CE2' ' HB2' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -54.08 -44.44 71.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 0.717 . . . . 0.0 110.994 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.483 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 2.3 mp -65.44 -52.86 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.0 mt -52.32 -21.4 3.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 53.3 m -86.34 -38.54 17.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.387 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.483 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 27.7 m -91.47 22.79 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.408 HG21 ' CG2' ' A' ' 108' ' ' ILE . 41.1 p -136.88 -46.41 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.421 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -87.12 -4.12 59.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 58.74 22.8 10.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.9 t -138.92 -160.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.953 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.6 t -135.29 119.07 13.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 124.73 8.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -94.37 15.29 17.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -106.7 27.81 8.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.409 ' CG2' HG21 ' A' ' 127' ' ' VAL . 21.7 m -102.77 129.86 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -10.37 59.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.6 tp -44.82 160.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.625 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.0 OUTLIER -65.13 169.2 6.03 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.625 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.97 -8.19 19.87 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.63 -33.29 6.2 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -75.13 -41.85 57.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.418 0.717 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.409 HG21 ' CG2' ' A' ' 120' ' ' VAL . 2.2 t -51.38 -35.04 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 131' ' ' HIS . 35.5 mt -52.13 -48.14 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.407 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 5.0 mmmm -42.55 -50.73 5.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 17.9 mt -52.24 -43.62 64.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 128' ' ' ILE . 2.0 m-70 -64.09 -47.3 80.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.651 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -63.82 -57.43 9.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.155 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.53 HG13 ' CD2' ' A' ' 19' ' ' TYR . 53.6 t -47.29 -45.21 9.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.5 tp -54.93 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.17 -35.54 3.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.452 ' HD2' ' CG ' ' A' ' 17' ' ' PRO . 2.5 mmt180 -60.85 -53.17 60.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 1.7 pt-20 -70.47 -26.49 63.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 36.9 mttt -52.86 -54.13 38.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -47.31 -48.46 25.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.2 tp -64.2 141.97 58.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -117.82 -36.68 3.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.58 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 11.5 t80 -163.65 152.21 13.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.23 149.95 37.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.98 136.99 2.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -50.59 110.04 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.6 tp -109.92 149.26 30.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.541 HD23 ' CE1' ' A' ' 36' ' ' HIS . 7.1 mt -102.61 128.54 49.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.8 mm -118.04 132.17 68.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 1.3 tttm . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.572 ' CE2' ' HE2' ' A' ' 94' ' ' LYS . 66.2 m-85 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.503 0.192 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.493 ' O ' ' CD2' ' A' ' 25' ' ' LEU . 4.3 mt-10 -98.79 158.93 15.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.541 ' CE1' HD23 ' A' ' 25' ' ' LEU . 70.0 m80 -106.81 106.96 17.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.639 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -127.29 139.58 52.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' TYR . 76.0 t-105 -62.51 89.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.3 m -82.12 122.97 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -118.32 127.33 53.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.23 116.97 29.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -134.75 127.19 30.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.57 -101.13 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 p -140.18 16.96 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.531 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 3.3 m -121.82 118.31 28.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.421 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.8 mt -73.33 126.86 31.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.531 ' CD2' ' O ' ' A' ' 45' ' ' THR . 96.5 m-85 -117.4 125.71 51.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 61' ' ' LEU . 7.8 m-85 -109.93 127.02 54.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' TRP . 75.5 m-85 -122.3 166.24 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.1 p -77.07 -51.4 11.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.386 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -141.13 -67.75 0.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' LYS . 10.9 tttm -172.32 -62.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' LYS . 18.5 mmmt -40.24 -36.23 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 t -45.05 119.59 2.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -84.55 -55.33 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' TYR . 5.0 mp -89.44 95.18 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.498 ' CZ ' ' HD3' ' A' ' 60' ' ' LYS . 34.7 p90 -37.49 135.52 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.5 p -51.9 -33.18 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.354 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -174.55 156.72 2.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.498 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 41.9 pttt -133.84 163.95 28.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 3.7 mt -128.36 -176.77 3.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -143.6 125.17 14.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.9 pt -133.37 24.5 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 65' ' ' ASP . 9.6 p -74.74 -38.03 43.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.41 ' N ' HG11 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -97.72 19.99 12.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.246 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.5 tp -40.41 133.32 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.68 -39.94 21.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 175.85 -178.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.318 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.476 ' CD2' ' OE2' ' A' ' 71' ' ' GLU . 0.8 OUTLIER -131.68 133.04 44.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 5.7 p -112.2 148.03 34.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.476 ' OE2' ' CD2' ' A' ' 69' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.437 ' CB ' ' HA3' ' A' ' 101' ' ' GLY . . . -120.17 113.38 20.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -136.12 116.57 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.493 ' CB ' ' O ' ' A' ' 70' ' ' THR . 2.9 p90 -139.6 156.61 46.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 25.1 m -104.58 135.47 45.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.432 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.516 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -89.26 96.49 10.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.5 t -75.89 123.84 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 mt -126.28 157.74 69.1 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.84 8.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.766 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -113.27 -56.28 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 8.7 tt0 -159.0 154.12 25.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 12.0 mt-10 -91.69 146.14 24.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.346 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 75.7 t -132.64 149.0 31.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -103.17 142.27 34.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.433 HD12 ' CD2' ' A' ' 84' ' ' LEU . 2.9 mp -125.73 161.95 26.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.572 ' HE2' ' CE2' ' A' ' 34' ' ' TYR . 1.9 ttmm -154.21 137.6 15.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.3 p -126.87 -42.73 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.403 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.47 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 2.6 mm-40 65.18 49.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 174.23 117.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 m -44.98 -54.54 6.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.415 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -48.7 -73.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.3 m -42.06 -50.11 4.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.437 ' HA3' ' CB ' ' A' ' 80' ' ' ALA . . . -54.6 -69.95 1.1 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -39.8 -43.01 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.35 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.58 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 4.7 mt-10 -54.48 -69.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.453 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 87.4 m95 -51.22 -62.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 108.021 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -38.07 -48.29 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -69.09 -60.88 4.91 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.12 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.418 ' CE1' ' HB3' ' A' ' 129' ' ' LYS . 6.2 m-85 -46.74 -42.88 17.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 111' ' ' VAL . 1.6 mp -65.36 -61.21 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 47.8 mt -44.66 -26.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.247 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.465 ' CG2' ' O ' ' A' ' 130' ' ' LEU . 97.1 m -80.51 -40.82 25.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.379 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 108' ' ' ILE . 32.8 m -91.61 28.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 108' ' ' ILE . 21.4 p -144.8 -46.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -85.47 -9.95 56.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 63.56 22.14 13.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.4 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . 0.7 OUTLIER -141.94 -160.89 1.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.99 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 48.5 t -133.92 123.14 16.86 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 119.59 5.72 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -90.42 25.66 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -123.79 38.83 4.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 4.3 m -111.03 138.43 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.95 -5.58 59.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.414 HD22 ' CG ' ' A' ' 103' ' ' GLU . 1.9 tp -50.45 161.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.617 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.2 mm? -64.97 169.3 5.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.617 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.2 Cg_endo -75.03 -7.93 19.58 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.456 ' HA2' ' CD1' ' A' ' 128' ' ' ILE . . . -97.04 -34.22 5.74 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 110.945 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -74.78 -36.92 62.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 0.733 . . . . 0.0 110.28 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.93 -30.22 37.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.456 ' CD1' ' HA2' ' A' ' 125' ' ' GLY . 38.4 mt -54.99 -48.41 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.418 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 6.8 mmmm -43.94 -53.0 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.465 ' O ' ' CG2' ' A' ' 110' ' ' THR . 13.4 mt -49.81 -42.99 48.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -65.0 -51.65 60.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.583 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -61.05 -59.91 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.258 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 55.7 t -42.32 -46.17 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.4 ' CD2' ' HA ' ' A' ' 115' ' ' SER . 3.6 tp -52.81 -68.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.08 -36.74 13.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -59.62 -50.69 72.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 3.3 pt-20 -73.23 -27.86 61.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 16.1 mttm -50.62 -50.66 53.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -48.89 -38.29 22.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.348 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.843 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.505 ' CD2' ' OE1' ' A' ' 21' ' ' GLU . 16.3 tp -57.2 143.23 39.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -123.72 -42.05 2.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.574 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 4.1 t80 -159.41 153.35 23.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.505 ' OE1' ' CD2' ' A' ' 18' ' ' LEU . 15.2 pm0 -157.14 143.84 18.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.44 142.92 3.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -41.65 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.746 . . . . 0.0 110.982 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.5 tp -109.77 150.01 28.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.433 HD21 ' CG ' ' A' ' 36' ' ' HIS . 12.7 mt -102.44 127.97 49.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.9 mm -116.12 126.98 73.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.573 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 56.4 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.467 0.175 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.478 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 46.4 mm-40 -104.13 144.68 31.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.433 ' CG ' HD21 ' A' ' 25' ' ' LEU . 48.6 m80 -91.17 111.5 23.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.478 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 34.4 m-85 -131.41 136.85 48.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.426 ' N ' ' O ' ' A' ' 49' ' ' TYR . 73.5 t-105 -65.68 95.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 107.982 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.447 HG22 ' CH2' ' A' ' 104' ' ' TRP . 16.1 m -88.7 142.02 28.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -132.28 127.65 36.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.01 125.8 35.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 44' ' ' THR . 24.3 mtt180 -146.12 127.65 15.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.02 -92.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 42' ' ' ARG . 7.3 p -151.48 32.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 0.737 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.494 HG23 ' CZ ' ' A' ' 47' ' ' PHE . 5.9 m -136.45 114.95 11.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.354 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 30.3 mt -74.7 129.89 38.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.494 ' CZ ' HG23 ' A' ' 45' ' ' THR . 70.9 m-85 -117.95 121.39 40.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 59' ' ' ASP . 14.4 m-85 -101.75 137.5 39.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 57' ' ' TYR . 70.3 m-85 -134.02 131.2 38.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.4 p -61.3 -29.79 70.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.387 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -164.13 158.74 19.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -62.88 -37.46 87.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -55.24 -45.46 76.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.66 138.24 23.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.969 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.1 mm -91.72 -47.1 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.0 mt -85.7 149.55 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 55.2 p90 -87.58 126.79 35.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' A' ' 59' ' ' ASP . 9.9 p -45.43 -49.21 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.416 ' N ' ' CG1' ' A' ' 58' ' ' VAL . 2.7 m-20 -162.79 151.78 14.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.7 pttt -122.78 158.52 30.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.6 mt -131.24 167.83 18.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -134.18 132.99 40.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.4 pt -133.55 30.97 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.4 -41.81 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.29 17.68 6.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.9 tp -44.74 134.35 5.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -85.03 -35.04 22.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 175.46 -178.1 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 108.319 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.03 126.26 35.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.1 p -99.73 166.58 11.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 72.5 m . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.78 114.99 22.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -126.86 118.22 24.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -144.71 151.93 39.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 m -111.62 137.1 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.415 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 2.0 mm? -82.01 114.06 20.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 40.7 t -93.63 109.78 22.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 89' ' ' GLU . 5.1 mt -113.51 157.67 40.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 1.75 7.38 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.3 -61.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 86' ' ' LEU . 5.8 tt0 -150.55 153.18 35.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.351 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.403 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 1.5 mt-10 -96.56 144.47 26.6 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 78.6 t -127.51 146.79 32.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -100.58 124.73 46.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.328 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.5 135.17 53.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 4.0 ttpt -137.63 147.68 45.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.8 p -120.12 161.85 20.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -85.8 -46.65 10.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -102.53 170.68 7.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 65.5 m -84.24 -54.58 4.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.417 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -47.95 -63.9 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.6 m -43.41 -36.38 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.45 -52.68 43.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.47 -25.97 68.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.574 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 3.2 mt-10 -67.92 -68.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.487 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 78.9 m95 -44.57 -63.49 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 107.972 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 104' ' ' TRP . 4.4 ttp180 -37.61 -61.54 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -48.84 -68.92 1.12 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.556 ' CE1' HG23 ' A' ' 133' ' ' VAL . 14.8 m-85 -41.85 -47.52 4.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.54 ' O ' ' CG2' ' A' ' 112' ' ' THR . 1.8 mp -64.32 -51.79 63.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.432 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 20.0 mt -54.83 -17.7 3.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.3 m -88.58 -44.54 10.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.53 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 15.9 m -81.78 8.9 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.54 ' CG2' ' O ' ' A' ' 108' ' ' ILE . 67.6 p -122.39 -51.41 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -81.64 -10.73 59.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.01 18.68 11.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.402 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . 0.4 OUTLIER -138.79 -154.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.408 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 42.3 t -135.93 127.89 17.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 116' ' ' VAL . 18.4 Cg_endo -75.0 117.62 4.98 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 111.068 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -91.67 22.87 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -127.53 49.97 2.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -118.3 160.41 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.08 -6.74 23.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.2 tp -50.97 159.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.628 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.3 mm? -65.27 169.58 5.68 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.628 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -74.98 -8.11 19.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.407 ' HA2' ' CD1' ' A' ' 128' ' ' ILE . . . -97.01 -33.34 6.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -74.44 -42.46 59.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 t -50.38 -34.18 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.407 ' CD1' ' HA2' ' A' ' 125' ' ' GLY . 32.4 mt -51.47 -47.22 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -47.55 -53.27 14.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.41 HD23 ' N ' ' A' ' 107' ' ' PHE . 23.6 mt -49.61 -31.48 10.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -79.43 -50.44 10.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.633 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.87 -40.77 94.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.556 HG23 ' CE1' ' A' ' 107' ' ' PHE . 44.4 t -61.1 -43.36 96.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' A' ' 115' ' ' SER . 5.6 tp -56.55 -65.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.456 ' O ' ' CD ' ' A' ' 139' ' ' LYS . 37.1 mt-10 -49.81 -30.89 10.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.3 mmt-85 -64.13 -62.89 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.44 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 1.2 pt-20 -63.39 -25.19 68.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.44 ' N ' ' HG2' ' A' ' 137' ' ' GLU . 11.3 mttm -51.46 -58.99 4.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . 0.456 ' CD ' ' O ' ' A' ' 135' ' ' GLU . 0.0 OUTLIER -41.33 -52.97 3.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 14.1 ttp85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.915 0 N-CA-C 111.049 -0.404 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.5 tp -71.91 139.67 48.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.248 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -115.72 -37.36 3.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.57 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 4.7 t80 -161.03 150.25 16.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 2.4 pt-20 -151.88 135.12 15.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . 178.67 133.31 1.89 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -38.0 96.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.444 ' CD1' HG23 ' A' ' 95' ' ' THR . 14.1 tp -98.24 153.17 18.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.485 HD23 ' CG ' ' A' ' 36' ' ' HIS . 12.1 mt -107.24 125.79 51.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.418 HG13 ' CE1' ' A' ' 48' ' ' PHE . 14.1 mm -113.19 133.44 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.57 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 52.9 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.461 0.172 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -102.41 145.17 29.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.485 ' CG ' HD23 ' A' ' 25' ' ' LEU . 6.6 m80 -95.18 118.25 31.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.632 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -144.18 135.99 26.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.549 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 61.4 t-105 -60.4 92.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 108.047 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.7 m -81.59 133.67 35.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -123.56 122.96 39.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 107' ' ' PHE . 0.1 OUTLIER -91.17 123.35 34.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -148.39 126.98 12.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.16 -97.9 0.07 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.2 p -146.47 20.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 110.379 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.8 m -124.84 123.73 40.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.374 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.0 mt -79.84 132.58 36.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -120.28 124.47 45.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.418 ' CE1' HG13 ' A' ' 26' ' ' ILE . 28.6 m-85 -105.45 137.41 43.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.561 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 68.1 m-85 -134.56 127.33 31.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.7 p -60.43 -31.79 70.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.408 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 54' ' ' SER . 41.0 m-20 -162.61 143.97 10.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -44.54 -41.6 6.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -51.36 -42.4 61.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 51' ' ' ASP . 48.7 m -41.64 123.83 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -79.18 -42.47 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 pp -111.28 139.43 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.561 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 53.9 p90 -61.59 128.57 36.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 111.049 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.2 p -52.07 -40.67 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.23 152.78 15.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -129.61 159.86 35.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.0 mt -134.1 161.92 33.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -124.63 129.09 49.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 10.5 pt -128.81 23.62 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 65' ' ' ASP . 7.0 p -72.49 -34.24 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.404 ' N ' HG11 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -92.77 12.72 22.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 tp -43.58 129.34 5.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -85.38 -39.11 17.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.373 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -179.04 -179.16 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 108.301 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.47 HD21 ' CG ' ' A' ' 105' ' ' ARG . 0.7 OUTLIER -131.54 127.14 36.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.3 p -104.04 172.46 6.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.352 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -130.39 124.88 33.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -134.38 122.26 22.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.451 ' CD2' ' HG3' ' A' ' 105' ' ' ARG . 1.7 p90 -137.05 157.24 47.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.1 m -116.84 114.72 24.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.553 ' CD1' ' N ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -66.17 101.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.378 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.7 t -76.0 118.6 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.6 mt -122.41 156.89 60.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.29 9.05 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -113.45 -58.27 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -156.74 149.15 23.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -87.44 133.83 33.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 92' ' ' GLN . 77.4 t -112.4 144.88 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.412 ' N ' HG13 ' A' ' 91' ' ' VAL . 58.3 mt-30 -104.6 138.87 40.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.9 mp -128.89 154.85 46.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.517 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -153.8 147.68 25.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.444 HG23 ' CD1' ' A' ' 24' ' ' LEU . 19.8 p -129.1 152.35 48.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.452 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -52.64 -57.43 10.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.272 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -119.32 168.7 10.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.1 t -61.53 -41.18 96.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.375 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -43.44 -64.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.05 -48.09 8.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.013 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -47.89 -70.83 0.66 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -45.9 -30.6 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 110.35 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.57 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 1.9 mt-10 -68.01 -68.37 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.431 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 86.3 m95 -52.79 -58.29 7.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 108.047 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.47 ' CG ' HD21 ' A' ' 69' ' ' LEU . 5.5 ttp180 -42.12 -35.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.252 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.01 -67.08 1.89 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.56 ' CE2' HG22 ' A' ' 133' ' ' VAL . 22.5 m-85 -44.79 -41.75 7.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.97 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.478 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 1.8 mp -67.57 -63.99 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.468 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 27.9 mt -42.07 -25.27 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 114' ' ' LEU . 84.7 m -79.78 -62.73 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 15.5 m -58.33 -14.95 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.468 ' OG1' ' HA ' ' A' ' 109' ' ' LEU . 25.4 p -95.34 -53.87 3.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.356 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 114' ' ' LEU . 13.6 mt-10 -84.06 10.48 9.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 110' ' ' THR . 0.2 OUTLIER 39.32 33.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.471 ' O ' ' CG2' ' A' ' 110' ' ' THR . 0.3 OUTLIER -149.88 -162.89 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 48.7 t -126.71 122.1 23.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 122.85 7.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.804 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -92.02 25.78 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -124.96 42.76 3.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.1 m -116.42 151.2 18.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.32 -8.98 26.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.47 HD21 ' CG ' ' A' ' 103' ' ' GLU . 1.6 tp -43.44 161.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.621 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.1 mm? -65.67 169.27 6.7 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.621 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.98 -8.01 19.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.65 -33.96 5.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -74.08 -43.68 56.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.02 -34.17 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 37.8 mt -51.01 -47.92 30.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -45.81 -58.28 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.421 HD21 ' N ' ' A' ' 107' ' ' PHE . 45.1 mt -44.16 -40.44 5.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -67.16 -55.37 14.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.58 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -58.32 -52.88 63.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.56 HG22 ' CE2' ' A' ' 107' ' ' PHE . 46.2 t -50.69 -40.84 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.475 ' CD1' HD13 ' A' ' 114' ' ' LEU . 3.0 tp -59.11 -64.52 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -52.34 -27.08 14.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 2.4 mmt85 -64.77 -59.65 3.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.426 ' CD ' HD11 ' A' ' 114' ' ' LEU . 8.1 pt-20 -66.36 -38.52 87.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.475 ' CE ' HD13 ' A' ' 134' ' ' LEU . 7.1 mttm -39.45 -47.75 1.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -51.22 -52.89 40.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 137' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.3 tp -98.42 150.07 22.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.642 ' CE2' ' HA2' ' A' ' 43' ' ' GLY . 18.9 m-30 -115.18 -70.06 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -120.17 171.47 8.46 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.466 ' CB ' ' HG2' ' A' ' 40' ' ' GLU . 3.4 pt-20 -173.2 112.83 0.22 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.259 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.49 166.54 38.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.575 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 2.3 m-85 -73.11 108.6 6.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.437 HD23 ' CD2' ' A' ' 93' ' ' LEU . 18.4 tp -113.32 156.01 24.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.2 mt -103.89 121.95 44.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.5 mm -111.17 126.18 68.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 3.6 tttt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.566 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 47.5 m-85 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.471 0.177 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.445 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 76.2 mm-40 -111.0 140.28 45.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.325 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 23' ' ' PHE . 1.9 t-80 -83.84 119.57 25.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.577 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 34.6 m-85 -142.41 135.3 28.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.554 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 59.1 t-105 -65.87 90.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.035 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.553 HG22 ' CH2' ' A' ' 104' ' ' TRP . 52.4 m -82.69 147.69 28.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.466 ' HG2' ' CB ' ' A' ' 21' ' ' GLU . 14.3 mt-10 -135.8 121.23 19.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -97.73 114.7 26.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.455 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -132.64 138.99 47.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.642 ' HA2' ' CE2' ' A' ' 19' ' ' TYR . . . 43.25 -94.68 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 42' ' ' ARG . 2.3 p -141.72 21.68 2.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 0.752 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.437 ' HB ' ' NH1' ' A' ' 42' ' ' ARG . 25.6 m -120.65 131.61 54.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.403 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.478 ' CD2' ' HG ' ' A' ' 41' ' ' LEU . 74.4 mt -98.78 126.61 44.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -112.75 150.44 31.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.445 ' O ' ' CG1' ' A' ' 58' ' ' VAL . 12.1 m-85 -132.2 118.22 19.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 57' ' ' TYR . 90.3 m-85 -118.53 167.7 11.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.3 p -104.31 -28.03 11.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -161.66 148.41 14.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.247 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -48.32 -39.32 21.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -56.08 -49.69 73.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.5 m -41.93 123.94 2.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.6 mm -87.72 -47.01 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.162 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.3 mm -94.34 125.47 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.527 ' CZ ' ' HD3' ' A' ' 60' ' ' LYS . 36.6 p90 -65.16 136.36 56.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.445 ' CG1' ' O ' ' A' ' 48' ' ' PHE . 7.5 p -50.77 -33.68 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' N ' HG12 ' A' ' 58' ' ' VAL . 0.6 OUTLIER -178.04 156.19 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.527 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 4.9 pttt -130.84 155.98 45.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.0 mt -128.57 176.54 7.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.78 135.52 38.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.9 pt -132.68 29.58 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.4 -30.97 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.43 13.34 30.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 tp -40.57 132.57 2.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.81 -30.4 20.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 171.74 -177.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 108.328 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -134.19 126.64 30.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.1 p -101.85 175.76 5.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 80.7 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.75 115.34 23.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -119.92 122.78 42.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -147.79 150.57 34.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.3 m -113.22 124.12 51.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.435 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.8 mm? -72.29 103.86 3.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.2 t -78.91 122.0 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 1.7 mt -123.52 157.91 60.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.01 9.44 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -114.54 -58.46 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.461 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 4.3 tt0 -156.99 148.29 22.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -87.03 156.15 19.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 69.6 t -135.48 144.46 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -103.72 137.92 41.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 110.328 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.437 ' CD2' HD23 ' A' ' 24' ' ' LEU . 8.1 mp -127.91 157.26 41.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 6.1 tttt -154.2 148.51 26.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.1 p -126.05 167.69 14.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.391 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.12 -65.37 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -97.92 153.8 18.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 88.2 m -56.53 -47.44 79.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.461 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.414 ' C ' ' N ' ' A' ' 101' ' ' GLY . 1.1 mm-40 -45.78 -68.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.54 -29.8 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.966 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 99' ' ' GLU . . . -64.13 -61.78 5.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -52.4 -35.46 51.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.47 -67.97 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 41' ' ' LEU . 62.5 m95 -50.01 -65.41 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -37.99 -61.3 0.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 110.26 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -55.06 -55.66 27.01 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.445 ' CE1' ' HB3' ' A' ' 129' ' ' LYS . 3.4 m-85 -49.47 -43.34 44.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.468 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 1.8 mp -66.98 -56.08 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.9 mt -48.05 -23.8 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.414 ' CG2' ' HB2' ' A' ' 134' ' ' LEU . 57.1 m -82.54 -39.66 22.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 34.1 m -92.48 27.44 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 40.0 p -142.92 -45.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.437 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.47 -15.83 44.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.3 mm? 70.73 23.11 4.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.438 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -145.45 -158.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.002 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 48.8 t -130.91 123.43 20.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 120.61 6.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.87 -4.29 58.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -98.69 62.03 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.6 m -132.26 140.41 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.4 -6.55 57.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.485 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.1 OUTLIER -51.1 177.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.573 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -103.28 -175.47 0.39 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.5 Cg_endo -75.02 -11.0 21.43 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.783 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -90.54 -35.45 7.37 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.485 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 1.8 mt-30 -75.96 -49.62 17.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.6 t -44.36 -36.56 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 58.0 mt -49.41 -50.68 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.445 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 6.7 mmmm -48.45 -53.54 17.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 15.8 mt -51.46 -41.48 60.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -65.79 -52.83 47.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.569 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -60.57 -58.62 7.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.536 HG12 ' CE2' ' A' ' 19' ' ' TYR . 55.8 t -45.48 -43.26 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.456 ' CD1' ' HG3' ' A' ' 138' ' ' LYS . 3.4 tp -58.12 -69.49 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -46.61 -31.22 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.3 mmt-85 -63.83 -48.91 74.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 5.0 pt-20 -74.86 -30.56 61.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.456 ' HG3' ' CD1' ' A' ' 134' ' ' LEU . 25.5 mttt -50.1 -42.3 50.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -61.69 -64.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.424 ' CG ' ' HD2' ' A' ' 136' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.453 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 2.2 tm? -57.12 134.71 56.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 136' ' ' ARG . 20.5 m-30 -110.9 -28.62 8.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 6.8 t80 -170.86 140.76 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.528 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 3.6 pt-20 -129.18 139.83 51.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.58 154.08 8.96 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -71.12 108.72 4.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 110.954 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.1 tp -105.14 153.55 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.453 HD21 ' CG ' ' A' ' 36' ' ' HIS . 12.7 mt -106.77 116.64 32.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 mm -108.8 128.95 64.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.562 ' HE2' ' CE2' ' A' ' 34' ' ' TYR . 2.1 ttpp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.562 ' CE2' ' HE2' ' A' ' 27' ' ' LYS . 60.7 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.49 0.186 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.457 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 8.6 mm-40 -109.95 151.25 27.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.453 ' CG ' HD21 ' A' ' 25' ' ' LEU . 67.2 m80 -92.85 121.63 34.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 45.0 m-85 -141.43 137.56 32.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.528 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 72.9 t-105 -63.78 84.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.041 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 37' ' ' TYR . 52.6 m -81.7 135.85 35.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.453 ' OE1' ' CD2' ' A' ' 18' ' ' LEU . 4.7 mm-40 -125.09 136.99 54.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 107' ' ' PHE . 0.7 OUTLIER -94.94 117.11 29.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -135.27 126.91 28.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.33 -96.43 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -142.24 16.76 2.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.2 m -120.27 123.83 44.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.2 mt -80.38 113.07 18.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -101.26 119.46 38.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -102.27 139.76 37.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.428 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 75.9 m-85 -132.66 155.07 49.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.421 ' CG2' ' HB ' ' A' ' 58' ' ' VAL . 76.0 p -93.29 -28.57 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -160.07 152.97 21.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -38.68 78.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -56.49 -40.89 75.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.93 139.26 41.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.976 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.7 mt -106.29 -43.38 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.8 mt -87.9 105.2 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.486 ' CZ ' ' HD3' ' A' ' 60' ' ' LYS . 55.8 p90 -44.46 129.98 6.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 59' ' ' ASP . 6.2 p -52.11 -47.81 42.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.421 ' N ' ' CG1' ' A' ' 58' ' ' VAL . 0.4 OUTLIER -156.35 160.59 39.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.486 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 9.2 pttt -141.39 162.01 36.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.5 mt -135.84 176.16 8.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -136.31 131.77 34.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.7 pt -134.37 21.36 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.8 p -69.02 -32.15 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.45 16.71 22.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.424 HD11 ' CD1' ' A' ' 84' ' ' LEU . 2.4 tp -43.19 133.61 3.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -88.32 -30.76 19.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 110.355 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 170.61 -178.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.306 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tt -132.92 128.43 36.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.7 p -99.79 168.71 9.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.386 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.83 119.94 38.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -135.36 115.83 13.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 93' ' ' LEU . 4.3 p90 -142.64 156.53 45.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 m -115.04 137.83 51.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.354 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.537 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 0.6 OUTLIER -86.2 111.94 20.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -84.86 125.16 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 mt -127.0 156.58 74.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.48 8.84 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.36 -57.34 2.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -158.13 151.32 23.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.21 142.57 27.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.8 t -124.44 139.44 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -91.36 138.05 31.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.453 HD11 ' CD2' ' A' ' 84' ' ' LEU . 0.6 OUTLIER -129.49 144.11 51.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.519 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -146.94 147.3 30.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 p -123.7 -177.41 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.434 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -80.86 -48.2 12.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -146.05 166.93 24.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.1 m -51.6 -43.29 62.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -46.93 -63.85 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.51 -40.47 71.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.06 -66.38 2.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -39.16 -42.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 0.795 . . . . 0.0 110.336 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.573 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 2.6 mt-10 -55.56 -70.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.4 ' CD1' ' HE2' ' A' ' 20' ' ' PHE . 84.0 m95 -49.63 -61.79 1.92 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 107.961 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -39.91 -45.17 1.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.06 -53.59 10.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.617 ' CE1' ' HB3' ' A' ' 129' ' ' LYS . 7.2 m-85 -53.79 -42.44 68.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.463 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 1.7 mp -65.26 -59.73 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 45.9 mt -45.49 -26.11 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.421 ' CG2' ' HB2' ' A' ' 134' ' ' LEU . 96.4 m -80.68 -40.94 24.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 110.409 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 31.2 m -91.15 28.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 23.8 p -144.16 -45.42 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.47 -19.31 31.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 73.33 21.27 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.44 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -148.2 -179.76 7.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 57.8 t -108.02 125.05 32.96 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.39 18.92 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -95.69 -5.74 41.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -97.27 60.97 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 1.2 m -133.21 157.17 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.87 0.01 27.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.465 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.3 OUTLIER -52.08 -176.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.558 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -108.96 -176.33 0.4 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.558 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.02 -20.23 17.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -87.16 -24.27 37.86 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.465 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 5.0 mm100 -90.82 -36.65 14.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 18.0 t -57.28 -42.35 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 25.1 mt -41.48 -49.81 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.617 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -45.62 -58.33 3.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.3 mt -47.97 -40.06 21.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -68.15 -55.97 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.594 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -57.67 -56.87 16.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 69.4 t -48.23 -48.45 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.44 ' CD2' ' HA ' ' A' ' 115' ' ' SER . 4.1 tp -52.0 -68.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -50.15 -33.8 20.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.284 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.44 ' HB3' ' CE1' ' A' ' 19' ' ' TYR . 8.8 mmt180 -63.49 -55.18 26.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 3.4 pt-20 -69.34 -25.91 64.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 10.1 mttm -51.3 -57.15 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 28.7 mmtm -43.37 -55.48 4.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 9.7 mtt-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HB3' ' NH1' ' A' ' 136' ' ' ARG . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 111.004 -0.421 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.435 ' CD2' ' OE1' ' A' ' 21' ' ' GLU . 3.0 tp -72.82 138.94 46.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.424 ' CD2' HG13 ' A' ' 133' ' ' VAL . 19.5 m-85 -119.47 -35.49 3.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -163.25 170.92 16.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.032 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.435 ' OE1' ' CD2' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -164.44 150.54 10.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.61 139.59 2.69 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -46.71 106.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 0.796 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.457 HD21 ' CD2' ' A' ' 93' ' ' LEU . 14.8 tp -106.91 152.34 24.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.53 HD21 ' CD2' ' A' ' 36' ' ' HIS . 10.1 mt -106.03 134.9 48.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.167 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.2 mm -115.21 137.88 47.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.601 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.601 ' CD2' ' HB2' ' A' ' 27' ' ' LYS . 14.6 m-85 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.517 0.198 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.543 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 2.7 pt-20 -97.78 148.45 23.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.34 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.53 ' CD2' HD21 ' A' ' 25' ' ' LEU . 27.0 m80 -103.88 101.14 10.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.621 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' A' ' 35' ' ' GLU . 42.2 m-85 -132.6 140.06 48.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -67.43 95.74 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 108.016 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.546 HG22 ' CH2' ' A' ' 104' ' ' TRP . 5.7 m -83.81 139.3 32.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -128.41 129.42 46.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.437 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.1 OUTLIER -90.89 119.05 30.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -138.56 126.69 22.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.42 -100.32 0.06 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.496 ' HB ' ' CG1' ' A' ' 64' ' ' VAL . 3.0 p -138.33 11.07 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.432 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.6 m -118.83 126.66 52.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 110.433 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.4 mt -82.82 135.92 34.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.231 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.418 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 88.1 m-85 -123.45 129.32 51.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -116.75 130.77 56.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' A' ' 57' ' ' TYR . 59.1 m-85 -124.17 161.63 25.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.9 p -81.94 -20.18 39.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.374 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -165.11 173.28 11.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -72.25 -28.64 63.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -72.54 -29.68 63.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.75 138.59 14.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.2 mt -107.42 -48.88 8.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mt -92.72 99.48 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.522 ' HA ' ' CD2' ' A' ' 49' ' ' TYR . 53.7 p90 -40.29 130.04 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 59' ' ' ASP . 12.7 p -58.45 -31.36 43.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.422 ' N ' HG12 ' A' ' 58' ' ' VAL . 9.4 m-20 -168.48 145.89 4.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.9 pttt -125.81 163.51 22.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.5 166.32 22.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.79 130.5 36.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 9.1 pt -131.44 14.91 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.496 ' CG1' ' HB ' ' A' ' 44' ' ' THR . 3.1 m -62.26 -24.56 35.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.432 ' N ' HG21 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -108.1 13.87 25.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 65' ' ' ASP . 2.7 tp -39.36 132.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -86.74 -32.87 20.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 171.56 -179.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 108.289 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.406 HD23 ' CD ' ' A' ' 105' ' ' ARG . 0.6 OUTLIER -133.02 127.31 33.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.3 p -100.74 171.42 7.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.287 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 30.7 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.408 ' CB ' ' HA3' ' A' ' 101' ' ' GLY . . . -82.64 119.93 24.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.58 117.41 19.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.564 ' CE2' ' HG2' ' A' ' 105' ' ' ARG . 2.7 p90 -145.83 158.03 43.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 111.052 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.8 m -112.99 128.4 56.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.435 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 84' ' ' LEU . 2.3 mm? -76.37 102.61 6.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.3 t -79.0 119.77 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 mt -125.83 157.14 69.99 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.67 8.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 111.055 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.54 -56.88 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -157.83 151.56 23.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -94.46 131.25 40.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.0 t -119.45 139.49 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -94.09 154.6 17.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.457 ' CD2' HD21 ' A' ' 24' ' ' LEU . 4.5 mp -141.57 139.1 33.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.88 141.71 42.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 41.6 p -116.44 162.96 16.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.374 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -78.55 -65.18 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.62 150.98 20.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.9 m -60.79 -41.37 95.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 100' ' ' SER . 43.4 tt0 -55.76 -60.53 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -38.37 -43.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.408 ' HA3' ' CB ' ' A' ' 80' ' ' ALA . . . -50.91 -64.66 3.59 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.31 -43.43 7.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.615 ' OE1' ' CD2' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -52.86 -69.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.546 ' CH2' HG22 ' A' ' 39' ' ' THR . 94.5 m95 -49.16 -61.83 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 107.972 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.564 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -37.41 -58.22 0.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.33 -59.12 10.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.615 ' CD2' ' OE1' ' A' ' 103' ' ' GLU . 0.4 OUTLIER -47.19 -45.12 22.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.763 . . . . 0.0 110.97 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.474 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 1.5 mp -64.78 -60.04 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 35.7 mt -45.57 -26.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.406 ' N ' ' C ' ' A' ' 108' ' ' ILE . 62.4 m -81.34 -39.81 24.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.439 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.474 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 24.9 m -92.27 28.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 108' ' ' ILE . 24.4 p -144.35 -46.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -84.79 -13.15 52.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 68.35 24.45 7.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.438 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -144.03 -156.73 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.995 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 44.3 t -138.12 124.17 12.81 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 119.12 5.52 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -89.06 16.35 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -116.38 47.37 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 5.1 m -120.84 140.98 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.08 -8.12 59.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.8 tp -42.93 159.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.64 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.2 mm? -66.43 170.48 5.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.64 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -75.0 -8.71 20.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.79 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.15 -33.79 6.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 129' ' ' LYS . 4.1 mt-30 -73.16 -50.59 21.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 0.745 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 126' ' ' GLN . 2.1 t -40.55 -40.61 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 131' ' ' HIS . 33.9 mt -50.67 -49.82 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 126' ' ' GLN . 6.6 mmmm -41.9 -56.49 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.3 mt -48.12 -42.96 30.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 128' ' ' ILE . 3.2 m-70 -63.27 -52.55 61.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.571 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -61.41 -60.16 4.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.424 HG13 ' CD2' ' A' ' 19' ' ' TYR . 48.1 t -42.38 -40.9 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.438 ' CD2' ' HA ' ' A' ' 115' ' ' SER . 3.4 tp -60.38 -72.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -43.88 -26.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.42 ' N ' ' C ' ' A' ' 134' ' ' LEU . 0.3 OUTLIER -68.62 -45.38 72.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.264 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 1.6 pt-20 -78.48 -30.34 47.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 26.4 mttm -50.23 -41.68 50.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -58.87 -61.9 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.915 0 N-CA-C 111.031 -0.411 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.1 tp -59.66 144.72 47.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.452 ' O ' ' NZ ' ' A' ' 129' ' ' LYS . 18.7 m-85 -130.55 -55.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.544 ' CG ' ' CE2' ' A' ' 107' ' ' PHE . 10.6 t80 -138.07 160.23 39.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -152.33 138.64 18.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.25 132.58 1.69 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -44.64 98.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.746 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.0 tp -101.91 155.02 18.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 mt -105.93 127.5 53.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.8 mm -118.33 134.22 62.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 3.3 tttt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.573 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 37.4 m-85 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.498 0.19 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -127.75 145.17 51.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.29 123.74 33.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.56 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -144.56 141.81 29.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' TYR . 66.8 t-105 -65.62 86.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.0 m -82.32 139.16 34.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.379 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -132.19 133.28 44.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.3 121.51 33.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 44' ' ' THR . 89.2 mtt180 -137.69 126.96 24.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.89 -92.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -145.2 17.47 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 0.738 . . . . 0.0 110.415 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.2 m -119.92 128.39 53.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.179 . . . . 0.0 110.369 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.6 mt -84.59 112.86 20.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -101.39 119.32 38.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.168 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -104.29 128.7 52.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.493 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 78.5 m-85 -122.62 167.22 13.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.9 p -104.07 -29.29 10.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -161.06 171.18 19.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -30.75 54.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -61.66 -32.53 72.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.53 145.88 21.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.6 mt -97.52 -42.03 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -108.06 165.49 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.51 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 35.9 p90 -88.2 129.88 35.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 59' ' ' ASP . 11.7 p -48.5 -31.81 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.413 ' N ' HG12 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -174.94 153.96 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -130.75 172.22 12.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.458 HD13 ' CG1' ' A' ' 91' ' ' VAL . 3.3 mt -132.97 -173.65 3.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -147.87 110.79 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.9 pt -125.21 24.65 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.4 m -67.63 -40.26 83.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.68 24.61 6.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.4 tp -42.52 132.58 3.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.03 -36.68 19.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 172.17 -179.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 108.351 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 tt -132.42 126.27 32.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.1 p -96.25 175.13 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 94.1 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.75 117.17 33.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.14 116.69 20.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.426 ' CE1' ' HB3' ' A' ' 93' ' ' LEU . 3.8 p90 -145.67 155.84 43.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.7 m -113.9 138.07 50.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.368 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.445 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.6 mm? -82.16 109.13 16.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 36.8 t -84.92 118.17 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 1.6 mt -123.61 157.16 63.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 0.45 8.91 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.519 1.799 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -114.62 -58.13 2.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.496 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 4.1 tt0 -158.14 149.93 21.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -90.5 155.3 19.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.458 ' CG1' HD13 ' A' ' 61' ' ' LEU . 53.6 t -139.11 138.08 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.415 ' N ' HG13 ' A' ' 91' ' ' VAL . 33.5 mt-30 -87.71 145.24 26.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.426 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -140.17 134.16 30.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -136.49 147.15 47.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.5 p -119.55 177.49 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -75.42 -44.55 43.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -146.97 161.72 40.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.1 m -45.43 -47.98 13.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.91 -74.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.251 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.5 m -44.08 -42.86 6.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -52.44 -58.26 11.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.34 -41.45 38.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 0.779 . . . . 0.0 110.325 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.95 -68.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.479 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 90.5 m95 -53.54 -59.73 4.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 108.035 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' TRP . 10.3 ttp180 -37.59 -57.01 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.18 -46.46 79.63 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.549 ' CZ ' ' HG2' ' A' ' 129' ' ' LYS . 0.2 OUTLIER -54.7 -42.18 71.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 111.019 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 104' ' ' TRP . 2.4 mp -68.56 -56.57 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 50.9 mt -46.2 -26.03 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.414 ' N ' ' C ' ' A' ' 108' ' ' ILE . 54.7 m -80.16 -40.55 27.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.457 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 34.4 m -92.4 30.34 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 108' ' ' ILE . 24.0 p -146.2 -47.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.391 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -85.02 -11.18 55.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.7 mm? 64.15 25.21 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.364 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.454 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . 0.3 OUTLIER -142.98 -166.64 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 92.7 t -127.78 120.98 21.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 119.48 5.66 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.544 1.813 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -84.11 -15.26 47.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -90.23 61.44 5.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -129.04 151.58 35.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -12.61 60.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.477 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.1 OUTLIER -51.7 176.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.588 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -106.61 -174.19 0.31 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.588 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -75.02 -19.62 17.63 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -88.71 -18.65 54.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.467 1.104 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.477 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 0.7 OUTLIER -92.08 -36.5 13.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.753 . . . . 0.0 110.26 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.7 t -62.0 -27.09 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 49.9 mt -61.86 -40.95 88.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.549 ' HG2' ' CZ ' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -51.76 -60.05 3.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' A' ' 107' ' ' PHE . 68.6 mt -45.82 -55.26 6.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -43.11 -44.78 5.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.589 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -65.91 -55.33 17.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.467 ' CG2' ' HD2' ' A' ' 129' ' ' LYS . 97.3 t -51.19 -47.69 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.454 ' CD2' ' HA ' ' A' ' 115' ' ' SER . 3.6 tp -51.93 -68.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -48.03 -30.82 4.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -52.99 52.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.274 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -71.67 -25.43 62.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -52.7 -52.14 57.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.42 -50.6 16.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 tp -64.58 137.56 57.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.514 ' CG ' HG11 ' A' ' 133' ' ' VAL . 25.0 m-85 -120.9 -36.97 3.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 55.8 t80 -160.94 151.56 18.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -139.09 161.21 37.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.45 131.07 1.2 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.524 1.14 . . . . 0.0 111.048 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -44.13 111.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.454 ' CD1' HG23 ' A' ' 95' ' ' THR . 28.0 tp -114.5 156.45 24.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.47 HD21 ' CG ' ' A' ' 36' ' ' HIS . 11.4 mt -104.71 128.21 52.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.517 HD11 ' CE1' ' A' ' 48' ' ' PHE . 12.0 mm -115.99 134.87 57.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.541 ' HE2' ' CD2' ' A' ' 34' ' ' TYR . 6.5 ttpt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.541 ' CD2' ' HE2' ' A' ' 27' ' ' LYS . 47.8 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.523 0.201 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.519 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 71.0 mm-40 -109.39 140.37 43.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.47 ' CG ' HD21 ' A' ' 25' ' ' LEU . 72.5 m80 -86.7 104.09 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.585 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.519 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 33.0 m-85 -127.16 139.03 53.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -64.07 92.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 108.02 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.567 HG21 ' CH2' ' A' ' 104' ' ' TRP . 23.1 m -82.71 142.94 31.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.434 ' OE1' ' CE1' ' A' ' 49' ' ' TYR . 20.5 mt-10 -135.67 123.15 22.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 107' ' ' PHE . 0.7 OUTLIER -91.01 118.27 30.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -138.59 127.04 23.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.15 -103.84 0.39 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.0 p -139.67 28.23 2.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 0.761 . . . . 0.0 110.377 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -133.04 125.77 30.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.366 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.8 mt -79.01 119.35 22.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -105.64 134.0 49.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.517 ' CE1' HD11 ' A' ' 26' ' ' ILE . 24.2 m-85 -118.68 129.46 55.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 56' ' ' ILE . 47.1 m-85 -118.06 156.3 28.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.431 ' OG1' ' CB ' ' A' ' 54' ' ' SER . 76.6 p -60.03 -51.89 67.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.414 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -157.58 -51.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.7 tttt 176.34 -36.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.406 ' O ' ' CG1' ' A' ' 55' ' ' ILE . 63.7 mmtt -85.28 8.63 17.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -59.28 -21.53 59.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.406 ' CG1' ' O ' ' A' ' 53' ' ' LYS . 0.6 OUTLIER 67.81 -65.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.596 ' O ' ' CE2' ' A' ' 49' ' ' TYR . 4.4 mp -92.32 -113.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.612 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -162.89 149.26 12.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.5 p -82.1 -33.48 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.73 160.89 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -139.01 175.64 9.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.432 ' CD1' HG11 ' A' ' 91' ' ' VAL . 11.7 mt -148.89 160.63 43.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -121.56 127.57 51.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 10.3 pt -125.79 20.46 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.9 p -68.54 -32.24 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.6 19.43 20.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 tp -45.87 126.93 7.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -78.38 -46.4 20.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.1 m -175.8 -178.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 108.307 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tt -131.53 126.9 36.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.401 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 36.8 p -101.37 171.84 7.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.409 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.41 129.47 35.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -135.94 113.32 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.401 ' CB ' ' O ' ' A' ' 70' ' ' THR . 4.3 p90 -144.01 154.62 43.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.3 m -113.59 140.03 48.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.426 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.47 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.3 mm? -85.27 114.39 22.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.5 t -93.06 118.44 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mt -123.69 156.53 64.72 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.29 9.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -112.49 -55.46 2.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -159.39 150.72 20.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -95.67 143.44 26.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.432 HG11 ' CD1' ' A' ' 61' ' ' LEU . 74.6 t -126.89 152.17 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -102.75 134.09 46.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.415 HD12 ' CD2' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -126.35 151.61 47.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.252 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.503 ' HE2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -154.02 141.99 20.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.454 HG23 ' CD1' ' A' ' 24' ' ' LEU . 39.6 p -112.06 157.5 20.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.97 -63.77 1.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -96.04 139.11 32.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -44.07 -42.4 6.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -51.94 -60.18 3.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.77 -39.08 1.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.014 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.09 -68.35 1.7 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.43 -37.34 16.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.78 . . . . 0.0 110.269 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.99 -67.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.567 ' CH2' HG21 ' A' ' 39' ' ' THR . 95.6 m95 -54.37 -62.19 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 108.027 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -38.19 -48.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.62 -61.27 3.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 20' ' ' PHE . 5.9 m-85 -43.64 -45.1 6.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.491 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 1.8 mp -65.22 -62.19 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.3 mt -45.24 -25.43 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.428 ' N ' ' C ' ' A' ' 108' ' ' ILE . 99.1 m -81.14 -41.01 23.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.427 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.491 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 26.9 m -91.64 30.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 108' ' ' ILE . 23.7 p -147.99 -44.88 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.444 ' C ' ' N ' ' A' ' 115' ' ' SER . 7.4 mt-10 -97.16 9.64 41.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 113' ' ' GLU . 4.5 mp 40.04 29.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.444 ' N ' ' C ' ' A' ' 113' ' ' GLU . 5.5 t -140.86 168.36 19.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.056 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 56.3 t -110.5 118.08 49.68 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.12 5.94 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.489 1.784 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.1 -12.84 40.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -85.9 48.94 1.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 32.8 m -122.24 -177.84 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 122' ' ' LEU . 0.1 OUTLIER -120.9 -3.44 9.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.962 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.519 ' CD1' ' HB3' ' A' ' 126' ' ' GLN . 3.3 mt -45.94 171.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.552 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 0.0 OUTLIER -97.03 -178.69 0.77 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.552 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.08 -9.07 20.51 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -93.31 -30.7 8.98 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.549 1.156 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.519 ' HB3' ' CD1' ' A' ' 122' ' ' LEU . 21.7 mm100 -86.81 -60.15 2.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.73 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.494 ' C ' ' O ' ' A' ' 126' ' ' GLN . 15.0 t -33.59 -51.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.446 ' CD1' ' O ' ' A' ' 124' ' ' PRO . 68.4 mt -41.58 -54.84 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 126' ' ' GLN . 7.4 mmmm -38.06 -59.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.3 mt -44.36 -48.83 9.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 128' ' ' ILE . 1.8 m-70 -57.35 -62.06 2.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.591 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -54.21 -60.37 3.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.514 HG11 ' CG ' ' A' ' 19' ' ' TYR . 74.7 t -44.21 -46.78 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.424 HD21 ' CA ' ' A' ' 115' ' ' SER . 3.2 tp -54.98 -73.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -48.5 -22.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -52.35 23.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 110.251 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.418 ' OE2' ' O ' ' A' ' 110' ' ' THR . 9.8 pt-20 -73.13 -37.76 66.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 32.4 mttt -42.76 -49.29 5.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.99 -52.29 64.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 4.3 ttp85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.338 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 tp -64.24 138.67 58.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.479 ' CG ' HG11 ' A' ' 133' ' ' VAL . 17.6 m-85 -125.07 -40.3 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.555 ' HB2' ' CE2' ' A' ' 107' ' ' PHE . 7.6 t80 -161.56 149.2 14.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.04 141.41 36.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.17 143.39 4.5 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -54.2 104.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 0.743 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.457 HD22 ' CD2' ' A' ' 93' ' ' LEU . 14.0 tp -102.25 153.01 20.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.415 HD22 ' CG ' ' A' ' 36' ' ' HIS . 13.7 mt -104.81 120.94 42.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.7 mm -113.14 131.91 63.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 47.7 m-85 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.487 0.184 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.464 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 13.4 mm-40 -110.38 144.37 39.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.415 ' CG ' HD22 ' A' ' 25' ' ' LEU . 73.7 m80 -89.07 117.04 27.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.593 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.464 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 33.0 m-85 -133.79 138.22 45.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -68.46 85.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 107.988 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.531 HG21 ' CH2' ' A' ' 104' ' ' TRP . 3.6 m -82.02 146.8 29.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.412 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -135.24 127.69 30.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.8 OUTLIER -90.77 122.7 33.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.355 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -142.94 127.69 18.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.26 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.23 -96.31 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.6 p -147.33 21.14 1.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 110.384 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.554 HG21 ' CZ ' ' A' ' 47' ' ' PHE . 2.7 m -124.55 116.24 22.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.443 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.2 mt -74.73 117.37 16.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.557 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 67.4 m-85 -106.06 132.97 51.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -118.45 143.89 46.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 47' ' ' PHE . 39.1 m-85 -144.42 139.24 28.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.1 p -48.83 -37.21 18.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.4 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.44 -164.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -64.43 -44.68 90.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' SER . 3.8 mmmm -50.58 -23.44 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.464 ' CB ' ' HB3' ' A' ' 49' ' ' TYR . 88.0 p -38.85 118.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.81 -56.19 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 64.2 mt -107.66 -81.91 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER 179.36 148.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.1 p -85.56 -31.96 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.518 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . 0.7 OUTLIER 174.62 169.26 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -149.36 167.42 26.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 mt -138.05 176.74 8.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -135.82 133.55 37.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.1 pt -130.16 15.86 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.75 -40.26 83.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.52 18.72 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 tp -48.7 128.48 15.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -80.01 -33.04 39.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 169.66 -177.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 108.342 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.95 131.55 31.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 71' ' ' GLU . 9.1 t -117.08 -169.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.417 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.45 ' N ' ' OG1' ' A' ' 70' ' ' THR . 8.6 mt-10 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.275 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.36 114.25 13.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -133.73 114.87 13.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -144.8 157.77 44.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 m -116.76 139.52 50.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.499 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -87.1 114.14 23.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.7 t -88.22 117.81 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 mt -121.98 156.82 59.16 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.21 9.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.462 1.769 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -113.03 -58.36 2.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -156.03 148.51 23.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.81 134.02 34.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 92' ' ' GLN . 73.6 t -115.69 148.17 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.416 ' N ' HG12 ' A' ' 91' ' ' VAL . 47.6 mt-30 -104.99 140.13 38.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.457 ' CD2' HD22 ' A' ' 24' ' ' LEU . 1.9 mp -130.47 146.74 52.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.97 147.4 31.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.7 p -127.47 152.9 46.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -100.23 46.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 168.14 155.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 95.6 m -81.08 -25.97 36.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.438 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -63.88 -65.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.0 m -58.48 -31.42 67.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.958 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.93 -54.9 32.0 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -66.3 -37.81 86.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 0.728 . . . . 0.0 110.281 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.601 ' OE1' ' CD2' ' A' ' 107' ' ' PHE . 0.1 OUTLIER -52.9 -66.34 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 41' ' ' LEU . 88.9 m95 -52.33 -64.59 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 108.05 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 104' ' ' TRP . 9.5 ttp180 -37.33 -42.71 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.68 -67.77 1.78 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.601 ' CD2' ' OE1' ' A' ' 103' ' ' GLU . 1.4 m-85 -42.42 -40.99 2.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.763 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.494 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 1.6 mp -65.25 -60.48 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.404 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 51.2 mt -44.65 -26.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.417 ' N ' ' C ' ' A' ' 108' ' ' ILE . 91.8 m -80.1 -42.52 23.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.454 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.494 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 27.3 m -90.1 29.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 108' ' ' ILE . 19.3 p -142.87 -45.59 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.442 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -88.71 -17.03 30.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 73.68 22.24 2.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -141.67 -157.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 38.9 t -137.37 127.86 15.87 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 115.72 4.36 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -89.17 -18.18 27.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -93.64 27.05 2.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -82.3 -171.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 122' ' ' LEU . 0.4 OUTLIER -116.17 -28.82 6.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.959 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 121' ' ' SER . 1.5 tp -40.02 158.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.647 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.2 mm? -65.41 170.88 3.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.647 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.5 Cg_endo -75.03 -8.37 19.98 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.51 -33.89 6.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 129' ' ' LYS . 4.3 mt-30 -72.74 -48.44 38.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 110.308 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 t -43.25 -35.56 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 24.2 mt -52.89 -45.14 50.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 126' ' ' GLN . 5.2 mmmm -46.5 -52.03 14.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.414 HD22 ' CD1' ' A' ' 107' ' ' PHE . 5.5 mt -53.16 -46.61 68.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -53.58 -52.94 58.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.56 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -66.75 -58.4 5.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.479 HG11 ' CG ' ' A' ' 19' ' ' TYR . 39.5 t -44.82 -36.79 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.402 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 5.6 tp -59.23 -70.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 138' ' ' LYS . 2.5 pt-20 -43.39 -36.44 1.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 1.7 mpt_? -58.89 -60.35 4.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.471 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 0.9 OUTLIER -63.69 -26.79 68.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.471 ' N ' ' HG2' ' A' ' 137' ' ' GLU . 15.1 mttm -52.58 -57.83 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 138' ' ' LYS . 12.7 mmtt -39.82 -46.97 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 15.2 ttp85 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HB3' ' NH1' ' A' ' 136' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.5 tp -57.28 149.41 20.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.497 ' CG ' HG13 ' A' ' 133' ' ' VAL . 21.6 m-85 -129.53 -46.5 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.521 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 9.8 t80 -150.95 150.65 31.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 pm0 -147.25 144.88 29.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.54 131.88 1.37 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -41.04 102.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 0.715 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.42 ' CD2' HD22 ' A' ' 93' ' ' LEU . 21.6 tp -108.07 149.1 28.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.507 HD23 ' CG ' ' A' ' 36' ' ' HIS . 11.3 mt -100.87 130.23 46.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.2 mm -113.31 130.47 67.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 9.7 tttt . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 60.0 m-85 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.531 0.205 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.533 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 38.7 mm-40 -101.89 135.81 42.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.507 ' CG ' HD23 ' A' ' 25' ' ' LEU . 11.3 m80 -88.25 120.53 29.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.632 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 29.8 m-85 -150.31 136.18 18.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' TYR . 70.6 t-105 -61.42 89.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 108.012 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 53.1 m -82.47 135.49 35.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.424 ' OE1' ' NH2' ' A' ' 42' ' ' ARG . 20.5 mt-10 -126.21 127.98 46.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.341 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.3 119.32 31.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.424 ' NH2' ' OE1' ' A' ' 40' ' ' GLU . 29.8 mtt180 -137.65 128.38 26.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 49.85 -95.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 p -144.65 23.78 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.398 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.1 m -126.94 119.85 27.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.8 mt -79.02 119.13 21.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -110.15 118.78 37.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -102.16 138.01 39.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.551 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 70.8 m-85 -132.19 168.54 17.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.8 p -79.22 -47.74 15.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 110.375 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.54 -70.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.12 -59.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.35 -31.96 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -50.58 120.63 4.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.4 mm -84.91 -50.81 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' TYR . 15.2 mm -90.67 97.57 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.551 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 49.5 p90 -37.42 133.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.4 p -55.86 -45.06 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.358 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -158.18 160.92 37.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -143.03 168.62 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.9 mt -147.29 159.49 43.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -125.93 127.73 46.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.4 pt -126.46 25.96 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.3 p -69.41 -40.88 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.08 20.17 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.431 HD13 ' CD1' ' A' ' 84' ' ' LEU . 5.4 tp -51.2 130.88 27.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.1 m -81.27 -35.37 31.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 175.44 -173.82 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.452 HD23 ' CG ' ' A' ' 105' ' ' ARG . 0.6 OUTLIER -131.69 129.95 41.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.5 p -105.83 168.21 9.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 77.1 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.58 127.45 33.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.443 ' NZ ' ' OH ' ' A' ' 34' ' ' TYR . 4.1 mtpp -136.02 114.48 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.511 ' CE1' ' HB3' ' A' ' 93' ' ' LEU . 7.1 p90 -139.09 156.79 46.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.9 m -114.63 145.13 42.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.445 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -90.67 102.07 14.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.247 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.9 t -76.92 103.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.476 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -110.9 156.15 41.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 1.16 8.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.488 1.783 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -113.72 -59.16 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.476 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 5.3 tt0 -155.94 149.35 24.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -88.86 144.2 26.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 92' ' ' GLN . 55.4 t -132.59 138.13 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.406 ' N ' HG12 ' A' ' 91' ' ' VAL . 66.0 mt-30 -92.83 148.43 22.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.511 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -136.16 133.6 37.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -144.0 141.65 30.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.0 p -114.01 -165.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.386 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.86 -68.65 0.79 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.362 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -89.07 166.44 13.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.8 m -70.55 -46.04 64.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.409 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -51.77 -64.41 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 m -42.23 -32.47 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.97 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.11 -63.3 5.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.145 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -53.41 -33.3 53.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 0.763 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.521 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 2.5 tt0 -52.97 -66.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.426 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 77.3 m95 -53.16 -65.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.452 ' CG ' HD23 ' A' ' 69' ' ' LEU . 5.7 ttp180 -37.67 -41.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.37 -62.22 4.8 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.42 ' CE2' ' HB2' ' A' ' 20' ' ' PHE . 4.9 m-85 -52.32 -39.06 60.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 110.978 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.477 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 1.6 mp -65.1 -61.45 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.8 mt -44.46 -26.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.482 ' CG2' ' HB2' ' A' ' 134' ' ' LEU . 64.3 m -79.15 -44.17 22.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.371 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 20.6 m -88.68 30.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 25.1 p -145.64 -45.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.368 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -86.79 -16.16 37.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.248 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.3 mm? 70.88 18.83 5.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.442 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -145.96 176.91 9.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.979 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 37.8 t -107.9 126.57 29.5 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.522 1.801 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -89.37 -17.65 28.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.359 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -92.55 23.06 4.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -78.98 -171.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 122' ' ' LEU . 0.3 OUTLIER -116.97 -31.61 5.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.014 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 121' ' ' SER . 1.2 tp -40.12 159.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.622 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.4 mm? -66.44 169.86 6.7 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.622 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.2 Cg_endo -75.0 -7.05 18.81 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.492 1.785 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.454 ' HA2' ' CD1' ' A' ' 128' ' ' ILE . . . -97.02 -35.17 5.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -73.21 -43.49 61.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 0.735 . . . . 0.0 110.242 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.9 -38.71 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.454 ' CD1' ' HA2' ' A' ' 125' ' ' GLY . 14.3 mt -47.53 -41.87 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -49.03 -50.39 36.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 134' ' ' LEU . 9.9 mt -55.53 -47.21 76.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -50.12 -56.58 10.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.616 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.91 -55.9 12.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.497 HG13 ' CG ' ' A' ' 19' ' ' TYR . 32.2 t -48.14 -35.07 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.517 HD12 ' CG ' ' A' ' 138' ' ' LYS . 4.8 tp -61.59 -74.93 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.417 ' O ' ' CD ' ' A' ' 139' ' ' LYS . 33.6 mt-10 -44.34 -25.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.416 ' N ' ' C ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -64.85 -38.34 90.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.536 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 1.2 pt-20 -88.77 -31.43 18.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.536 ' N ' ' HG2' ' A' ' 137' ' ' GLU . 6.6 mtmp? -53.62 -32.6 51.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . 0.417 ' CD ' ' O ' ' A' ' 135' ' ' GLU . 1.7 mptt -63.88 -49.19 73.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 48.1 mtp85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.469 ' CG ' ' HD2' ' A' ' 136' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.416 HD12 ' CD ' ' A' ' 42' ' ' ARG . 4.7 tp -74.67 144.48 43.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.486 ' O ' ' CE1' ' A' ' 107' ' ' PHE . 22.2 m-30 -116.82 -40.47 3.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 103' ' ' GLU . 9.7 t80 -158.37 156.18 30.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -152.09 132.92 14.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.544 ' HA2' ' CZ3' ' A' ' 38' ' ' TRP . . . 178.72 157.17 18.79 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.599 ' CD1' ' CE1' ' A' ' 36' ' ' HIS . 5.1 m-85 -70.85 100.8 1.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 0.721 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.427 ' CB ' ' HB ' ' A' ' 39' ' ' THR . 7.6 tp -99.55 157.02 16.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.0 mt -108.21 124.85 50.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 mm -113.59 143.73 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HD3' ' CD2' ' A' ' 34' ' ' TYR . 24.0 ttpt . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.56 ' CD2' ' HD3' ' A' ' 27' ' ' LYS . 31.1 m-85 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.543 0.211 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 54.9 mt-10 -105.76 128.0 53.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.599 ' CE1' ' CD1' ' A' ' 23' ' ' PHE . 55.3 t-80 -71.85 119.2 15.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.605 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 32.5 m-85 -145.71 139.85 26.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.544 ' CZ3' ' HA2' ' A' ' 22' ' ' GLY . 60.8 t-105 -66.42 88.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.427 ' HB ' ' CB ' ' A' ' 24' ' ' LEU . 22.9 m -81.58 120.27 24.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -113.99 129.26 56.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 107' ' ' PHE . 0.2 OUTLIER -91.14 124.25 35.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 43' ' ' GLY . 7.2 mtt180 -153.51 126.84 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 42' ' ' ARG . . . 34.71 67.03 0.28 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.2 p 40.16 58.62 2.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 110.35 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.9 m -157.07 102.61 1.98 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.43 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.3 mt -72.77 107.92 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -99.11 118.82 36.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 61' ' ' LEU . 8.1 m-85 -98.59 132.23 44.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 57' ' ' TYR . 61.0 m-85 -129.75 159.51 36.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.1 p -71.04 -35.3 71.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.89 -71.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.8 tttt -171.71 -61.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.366 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.58 -40.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.7 t -40.91 120.71 1.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -81.96 -54.93 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' TYR . 38.4 mm -87.94 93.99 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 37.1 p90 -37.91 136.69 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.1 p -53.28 -32.77 19.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.07 157.63 1.87 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.436 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 8.0 pttt -136.07 159.16 42.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 2.9 mt -127.99 168.52 15.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.54 130.14 51.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 pp -142.97 53.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.8 p -103.94 -32.31 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.31 15.39 23.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.3 tp -40.67 134.72 1.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.11 -33.27 20.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 174.13 -171.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -137.06 126.94 25.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.509 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 24.9 p -102.52 169.26 8.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 60.8 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.401 ' O ' ' OG1' ' A' ' 95' ' ' THR . . . -102.86 115.15 30.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -126.12 115.9 20.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.509 ' CB ' ' O ' ' A' ' 70' ' ' THR . 4.2 p90 -145.92 156.64 43.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.9 m -111.0 138.29 47.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.416 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.2 mm? -85.55 104.34 15.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.1 t -81.65 118.91 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 89' ' ' GLU . 5.7 mt -121.64 157.76 55.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 2.09 7.02 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -114.48 -57.56 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 8.8 tt0 -154.27 156.47 37.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 7.6 mt-10 -94.92 132.12 40.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.261 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.6 t -115.08 150.01 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -101.4 138.8 37.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.419 ' HB2' ' CD2' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -135.33 134.34 39.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -135.62 145.98 47.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 80' ' ' ALA . 2.9 p -122.76 146.03 47.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.412 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -102.66 44.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 176.31 165.02 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.8 p -85.58 -46.9 10.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.55 -57.03 14.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.29 -34.46 33.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.37 -62.81 5.61 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -53.88 -34.57 59.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 110.337 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -58.01 -68.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.265 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.461 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 98.5 m95 -56.28 -63.25 1.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 107.991 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 104' ' ' TRP . 4.4 ttp180 -38.11 -33.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.61 -69.47 1.38 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.547 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 10.7 m-85 -38.46 -40.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.78 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.501 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 1.7 mp -66.26 -62.77 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.1 mt -43.46 -26.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.451 ' N ' ' C ' ' A' ' 108' ' ' ILE . 62.9 m -79.89 -43.43 22.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.455 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.501 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 23.2 m -88.83 29.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 108' ' ' ILE . 12.3 p -144.76 -44.18 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.393 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 114' ' ' LEU . 7.3 mt-10 -102.88 12.43 36.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.451 ' CD1' ' HG3' ' A' ' 137' ' ' GLU . 1.6 tp 37.32 34.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.429 ' N ' ' C ' ' A' ' 113' ' ' GLU . 0.6 OUTLIER -141.3 173.95 11.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 45.8 t -116.0 119.56 36.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 139.75 24.55 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.68 -5.88 18.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -92.22 29.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 17.7 m -107.05 139.21 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 122' ' ' LEU . 0.6 OUTLIER -82.61 6.71 16.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.511 ' CD1' ' HB3' ' A' ' 126' ' ' GLN . 3.0 mt -50.2 -177.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.591 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -110.35 -174.14 0.28 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.591 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.2 Cg_endo -74.99 -19.21 18.1 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.476 1.777 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.2 -34.01 13.39 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.511 ' HB3' ' CD1' ' A' ' 122' ' ' LEU . 16.6 mm100 -81.74 -61.7 1.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 0.772 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.479 ' C ' ' O ' ' A' ' 126' ' ' GLN . 24.3 t -34.19 -55.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 124' ' ' PRO . 53.6 mt -40.4 -54.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.475 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 10.5 mmmm -38.55 -55.99 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.7 mt -47.47 -47.38 27.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 128' ' ' ILE . 2.0 m-70 -58.71 -57.32 13.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.613 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -57.61 -59.84 4.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.445 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 55.9 t -43.56 -47.19 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.1 tp -52.12 -72.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.77 -34.31 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.469 ' HD2' ' CG ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -60.93 -66.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.451 ' HG3' ' CD1' ' A' ' 114' ' ' LEU . 1.2 pt-20 -59.95 -26.25 65.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.449 ' N ' ' HG2' ' A' ' 137' ' ' GLU . 18.0 mttm -52.14 -63.2 1.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -44.95 -50.66 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 40' ' ' GLU . 9.2 tp -62.33 137.46 58.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.419 ' CG ' HG13 ' A' ' 133' ' ' VAL . 22.3 m-85 -116.82 -38.22 3.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 103' ' ' GLU . 7.3 t80 -158.44 151.77 23.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 pm0 -150.02 138.49 20.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.97 132.21 1.58 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 111.027 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -41.87 98.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.9 tp -101.28 157.99 16.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.515 HD22 ' CG ' ' A' ' 36' ' ' HIS . 11.8 mt -113.21 129.68 56.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.9 mm -118.06 137.5 51.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.594 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 18.3 ttpt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.594 ' CE1' ' HB2' ' A' ' 27' ' ' LYS . 17.2 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.504 0.193 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.57 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 11.8 mm-40 -113.88 126.63 55.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.515 ' CG ' HD22 ' A' ' 25' ' ' LEU . 77.1 m80 -70.03 130.16 41.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 17.0 m-85 -158.47 133.16 8.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.422 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 43.7 t-105 -61.6 86.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 37' ' ' TYR . 90.2 m -82.6 137.34 34.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.466 ' HB2' ' CD1' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -139.44 140.54 37.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 107' ' ' PHE . 0.9 OUTLIER -90.39 119.04 30.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.54 ' O ' ' C ' ' A' ' 43' ' ' GLY . 20.3 mtt180 -135.42 126.26 27.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 42' ' ' ARG . . . 25.07 81.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.468 ' C ' ' O ' ' A' ' 43' ' ' GLY . 71.0 p 32.92 60.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.788 . . . . 0.0 110.398 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.638 ' CG2' ' CE2' ' A' ' 47' ' ' PHE . 1.4 m -167.61 106.18 0.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.1 mt -74.56 127.09 32.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.638 ' CE2' ' CG2' ' A' ' 45' ' ' THR . 46.8 m-85 -115.77 118.01 31.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -95.77 115.96 28.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.558 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 64.6 m-85 -110.73 167.28 10.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.4 p -81.54 -23.36 37.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.413 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 38' ' ' TRP . 8.6 m-20 -176.81 -81.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -161.84 -59.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -41.44 -33.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.8 t -46.75 126.57 8.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.7 mt -79.56 -45.0 23.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.2 pp -113.77 127.92 70.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.558 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 35.0 p90 -55.55 136.86 49.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 59' ' ' ASP . 12.4 p -54.47 -31.41 23.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.447 ' N ' HG12 ' A' ' 58' ' ' VAL . 1.2 m-20 -176.33 158.28 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -137.17 164.76 27.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.454 ' CD1' HG23 ' A' ' 91' ' ' VAL . 6.6 mt -139.01 150.69 46.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.03 134.52 50.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.3 pt -129.44 15.69 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.6 -34.36 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.2 14.15 21.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.23 131.83 3.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -85.84 -30.98 22.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.437 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 168.98 -178.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 108.31 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.81 132.31 51.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.9 p -107.78 170.94 7.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.438 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 67.0 m . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.15 113.71 12.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -136.72 122.26 19.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -149.86 156.46 41.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 m -112.25 139.96 47.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.489 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.2 mm? -86.37 115.11 23.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.8 t -92.97 118.63 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.8 mt -123.89 157.73 62.31 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.268 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 1.67 7.5 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.963 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.27 -59.04 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -154.92 150.43 27.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -95.23 131.26 41.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.454 HG23 ' CD1' ' A' ' 61' ' ' LEU . 92.7 t -116.55 143.83 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.403 ' N ' HG13 ' A' ' 91' ' ' VAL . 60.1 mt-30 -94.88 149.54 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.431 HD13 ' CD2' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -136.89 138.47 40.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -147.05 133.5 19.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.6 p -109.85 -177.24 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.42 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.05 -62.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -85.88 122.05 29.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.6 m -39.3 -48.5 1.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.414 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -53.04 -54.62 32.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.65 -35.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.74 -57.16 20.87 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -50.6 -32.57 19.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.622 ' OE1' ' CD2' ' A' ' 107' ' ' PHE . 0.5 OUTLIER -63.37 -67.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.472 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 91.9 m95 -53.26 -61.96 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 104' ' ' TRP . 8.0 ttt180 -37.04 -51.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.9 -69.67 1.25 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.622 ' CD2' ' OE1' ' A' ' 103' ' ' GLU . 1.8 m-85 -39.36 -44.49 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.506 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 1.9 mp -68.06 -59.91 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.464 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 22.8 mt -46.19 -21.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 115' ' ' SER . 94.7 m -83.75 -58.77 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 110.415 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.506 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 12.7 m -62.72 -11.33 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 108' ' ' ILE . 32.8 p -99.27 -59.98 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -69.58 -22.95 63.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 110.343 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 110' ' ' THR . 0.2 OUTLIER 78.29 15.34 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.492 ' O ' ' CG2' ' A' ' 110' ' ' THR . 0.1 OUTLIER -138.33 -158.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 97.2 t -127.53 122.64 22.79 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 135.79 19.53 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.525 1.802 . . . . 0.0 110.954 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.71 -8.77 42.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.35 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -89.62 52.98 2.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 19.1 m -127.49 135.15 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.23 -3.93 56.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.002 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.6 tp -47.35 160.62 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.617 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.2 mm? -64.9 169.56 5.26 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.617 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.03 -8.31 19.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.65 -34.45 5.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -73.31 -43.45 60.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.06 -33.44 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 34.9 mt -54.43 -47.49 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -44.17 -54.68 5.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 50.0 mt -48.68 -41.51 31.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -66.47 -41.3 89.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.596 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -69.45 -53.9 16.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.588 HG22 ' CE1' ' A' ' 107' ' ' PHE . 62.8 t -51.81 -42.0 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 5.6 tp -55.92 -65.75 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -50.31 -32.06 16.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 0.8 OUTLIER -63.57 -61.82 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 1.1 pt-20 -64.24 -25.3 68.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.441 ' N ' ' HG2' ' A' ' 137' ' ' GLU . 11.6 mttm -51.13 -56.99 9.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -44.48 -52.43 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.472 ' O ' ' O ' ' A' ' 18' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.901 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.626 ' O ' ' CD1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER 55.7 159.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 18' ' ' LEU . 23.1 m-85 -144.58 -41.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.601 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 7.7 t80 -142.65 164.66 29.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.586 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 0.1 OUTLIER -161.02 109.9 1.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.43 144.32 9.41 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 38' ' ' TRP . 8.1 m-85 -51.19 111.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 39' ' ' THR . 20.7 tp -112.92 152.08 29.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 34' ' ' TYR . 14.8 mt -99.38 121.51 41.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.472 HD11 ' CE1' ' A' ' 48' ' ' PHE . 25.4 mm -108.93 123.79 65.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 77.6 m-85 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.542 0.211 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.477 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 48.9 mt-10 -100.6 130.07 46.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.421 ' CG ' HD23 ' A' ' 25' ' ' LEU . 51.0 m80 -77.19 117.53 18.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.605 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.477 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 29.1 m-85 -137.16 138.45 40.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.586 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 75.6 t-105 -64.06 94.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.021 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.546 HG23 ' CH2' ' A' ' 104' ' ' TRP . 74.5 m -92.96 146.87 23.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.48 ' HG2' ' CB ' ' A' ' 21' ' ' GLU . 41.7 mt-10 -138.42 133.23 32.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.548 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.9 OUTLIER -90.82 116.36 28.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.578 ' HD2' ' CD1' ' A' ' 47' ' ' PHE . 84.3 mtt180 -123.73 130.12 52.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' ARG . . . 36.03 -94.49 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.558 1.161 . . . . 0.0 111.056 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 42' ' ' ARG . 3.2 p -134.03 11.01 3.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.444 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.448 HG21 ' CZ ' ' A' ' 47' ' ' PHE . 8.0 m -116.46 125.7 52.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.347 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.5 mt -86.65 125.01 33.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.578 ' CD1' ' HD2' ' A' ' 42' ' ' ARG . 73.7 m-85 -115.92 129.46 56.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.472 ' CE1' HD11 ' A' ' 26' ' ' ILE . 12.2 m-85 -110.64 144.3 39.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.518 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 88.9 m-85 -137.25 165.19 26.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.9 p -73.57 -47.95 36.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.403 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.456 ' O ' ' CG ' ' A' ' 38' ' ' TRP . 2.5 m-20 -144.99 -65.53 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -176.53 -54.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -43.38 -36.23 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.2 t -50.2 121.94 6.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -85.25 -54.32 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' TYR . 4.1 mp -86.51 98.61 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.518 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 51.1 p90 -37.57 133.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.1 p -55.68 -38.46 50.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -165.42 155.11 12.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.483 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 9.9 pttt -134.12 166.93 21.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 mt -139.3 170.04 16.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.348 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -133.21 128.36 35.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.6 pt -133.38 28.07 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.3 p -72.91 -32.33 39.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.32 19.07 16.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.237 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 tp -44.05 130.72 6.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -85.61 -33.36 21.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 172.66 -179.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 108.282 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.42 HD22 ' CG ' ' A' ' 105' ' ' ARG . 0.6 OUTLIER -130.87 128.28 40.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.458 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 32.0 p -105.29 174.16 6.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.951 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.05 115.1 16.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -120.54 119.02 31.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.531 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 2.9 p90 -143.44 155.8 44.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 m -112.1 134.38 53.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.6 mm? -80.69 108.96 14.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 44.2 t -86.97 111.15 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 1.2 mt -116.04 156.38 46.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.72 8.57 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.791 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -114.44 -58.08 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.5 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 4.2 tt0 -157.69 148.31 20.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.233 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -89.36 158.11 17.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.1 t -142.3 145.91 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -102.31 132.33 48.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.424 HD13 ' CD2' ' A' ' 84' ' ' LEU . 3.1 mp -119.47 161.2 20.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -154.27 155.86 35.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.464 HG21 ' CD1' ' A' ' 24' ' ' LEU . 2.6 p -133.37 173.1 11.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -83.56 -75.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.77 178.33 6.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 53.3 m -76.88 -47.68 20.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.393 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -44.81 -61.35 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 95.0 p -41.14 -46.85 3.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.995 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -46.36 -62.14 3.72 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -56.61 -33.02 65.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.601 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 2.1 mt-10 -60.05 -63.07 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.282 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.548 ' CZ3' ' HB2' ' A' ' 41' ' ' LEU . 68.7 m95 -57.02 -67.21 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 107.975 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.531 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -37.1 -68.73 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -43.77 -46.66 7.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.512 ' CE1' HG22 ' A' ' 133' ' ' VAL . 0.5 OUTLIER -65.61 -41.38 92.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 110.976 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.477 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 1.5 mp -65.91 -58.96 4.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.401 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 36.8 mt -46.17 -25.59 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.411 ' O ' ' OE2' ' A' ' 137' ' ' GLU . 82.9 m -80.77 -40.72 24.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 35.5 m -91.65 28.68 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 108' ' ' ILE . 22.3 p -143.73 -45.71 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -86.51 -15.54 39.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 70.67 24.93 4.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.6 t -144.35 -160.44 1.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.7 t -133.94 122.74 16.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 145.72 31.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -106.36 -5.4 19.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -90.74 40.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 19.9 m -115.08 131.01 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.43 -10.85 59.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.5 tp -42.92 161.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.615 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.1 mm? -66.52 169.57 7.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.615 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.0 -7.67 19.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.75 -34.81 5.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 129' ' ' LYS . 2.3 mm100 -73.19 -45.41 56.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 110.342 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 t -46.1 -34.14 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 23.3 mt -56.53 -43.4 78.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 126' ' ' GLN . 5.7 mmmm -46.49 -51.77 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.42 -42.31 61.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -63.83 -48.49 76.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.635 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -64.8 -60.94 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.543 HG12 ' CD2' ' A' ' 19' ' ' TYR . 67.6 t -42.85 -40.73 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.475 ' O ' ' CG ' ' A' ' 137' ' ' GLU . 4.0 tp -56.03 -67.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.419 ' HA ' ' HB2' ' A' ' 138' ' ' LYS . 1.8 pt-20 -44.35 -41.18 5.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 1.0 OUTLIER -54.26 -52.66 60.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 134' ' ' LEU . 4.5 pt-20 -69.99 -31.54 69.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 25.8 mttm -51.21 -41.65 60.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -62.4 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 p -177.45 166.26 2.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.965 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 m -134.61 165.06 26.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.088 . . . . 0.0 110.025 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.97 140.05 8.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.118 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -169.81 152.18 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.77 . . . . 0.0 109.994 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m -123.36 98.15 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.11 159.91 10.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -111.98 128.4 56.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -113.83 90.07 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -135.84 89.31 2.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.5 mp -96.1 157.85 15.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.39 -50.13 3.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -108.48 132.82 55.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.9 m -122.43 -69.22 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -146.63 -60.85 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mp -113.54 150.43 43.22 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 133.15 16.18 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.531 1.806 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.3 tp -75.69 142.23 42.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -122.98 -46.64 2.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.514 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 7.0 t80 -146.0 163.75 34.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 1.4 pt-20 -157.28 140.26 15.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.77 146.77 4.98 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -55.85 108.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.787 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.477 ' CD1' HG21 ' A' ' 95' ' ' THR . 27.7 tp -109.39 150.01 28.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.1 mt -105.52 125.73 51.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.443 ' HB ' ' CG ' ' A' ' 35' ' ' GLU . 23.6 mm -103.82 145.49 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.606 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 8.1 tttt -147.61 128.9 14.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.461 ' HG3' ' CE2' ' A' ' 31' ' ' TYR . 4.7 mtm105 -146.89 149.36 33.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.7 t -39.58 112.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.45 -41.26 1.92 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.577 ' CE1' ' HG2' ' A' ' 35' ' ' GLU . 6.4 m-85 -51.04 -55.89 15.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 84.74 -46.18 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 34' ' ' TYR . 8.6 mt-10 -129.31 118.54 22.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.606 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 24.1 m-85 -36.32 130.1 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.577 ' HG2' ' CE1' ' A' ' 31' ' ' TYR . 1.4 pt-20 -89.72 149.68 22.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.542 ' O ' ' CG ' ' A' ' 37' ' ' TYR . 31.1 t-80 -103.82 134.07 47.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.622 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' A' ' 36' ' ' HIS . 40.9 m-85 -168.24 145.76 4.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 72.0 t-105 -72.33 92.54 1.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.7 m -81.68 139.63 34.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -127.52 130.37 49.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 107' ' ' PHE . 0.5 OUTLIER -90.82 116.51 28.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -137.73 127.09 24.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.54 -93.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 p -146.82 19.16 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 110.352 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.8 m -124.95 125.19 43.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.422 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.6 mt -82.2 123.46 29.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -110.4 120.01 41.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 61' ' ' LEU . 8.6 m-85 -98.9 129.97 45.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.535 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 64.7 m-85 -123.54 177.12 5.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.6 p -110.69 -30.33 7.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.411 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -161.07 155.61 23.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -34.35 69.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -47.84 84.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 m -49.89 133.38 22.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.3 mp -99.53 -38.72 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.5 mm -95.98 114.69 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.535 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 42.0 p90 -57.72 128.94 39.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.0 p -50.78 -34.49 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.37 157.73 11.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -136.5 159.42 41.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 1.4 mt -120.54 -161.91 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -161.31 128.81 4.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.467 HD13 ' CG2' ' A' ' 112' ' ' THR . 1.2 pp -138.94 40.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.361 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.3 p -86.12 -33.24 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.14 17.37 17.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 tp -42.14 133.23 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.93 -27.97 19.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.377 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 167.94 -179.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 108.277 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.467 HD22 ' CG ' ' A' ' 105' ' ' ARG . 1.2 tt -132.44 128.53 37.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.9 p -105.79 163.01 13.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.366 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -125.24 146.43 49.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -117.63 116.5 27.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.27 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -46.81 -63.07 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.248 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 m 49.1 88.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.8 p -81.57 97.25 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -169.74 -59.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -129.75 139.73 51.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -79.37 83.7 5.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 9.0 m -135.67 173.59 11.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 108.332 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -100.29 117.88 35.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -130.52 113.52 14.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.447 ' CD2' ' HG3' ' A' ' 105' ' ' ARG . 3.7 p90 -135.35 155.67 50.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.3 m -109.99 134.97 51.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.356 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.443 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.7 mm? -84.35 105.77 15.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.1 t -83.98 119.68 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.42 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 1.5 mt -121.83 157.88 56.09 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.04 8.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -114.92 -58.43 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.42 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 4.1 tt0 -157.39 151.37 24.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.53 153.38 20.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.3 t -140.37 144.79 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -92.46 147.27 23.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.19 150.22 45.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -154.52 157.56 38.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.477 HG21 ' CD1' ' A' ' 24' ' ' LEU . 67.6 p -122.41 -161.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -95.57 -41.28 9.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -144.36 171.31 14.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.85 -36.67 70.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.432 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -52.9 -69.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.5 m -44.56 -50.6 9.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -44.78 -69.79 0.69 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.48 -34.58 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.514 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 1.9 mt-10 -64.26 -61.51 2.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.455 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 85.2 m95 -55.16 -64.2 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.009 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.467 ' CG ' HD22 ' A' ' 69' ' ' LEU . 4.1 ttp180 -37.96 -57.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -58.03 -56.24 26.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.449 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -51.11 -42.28 60.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 0.791 . . . . 0.0 111.026 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.478 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 1.4 mp -65.54 -58.2 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 35.5 mt -46.17 -25.72 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.412 ' N ' ' C ' ' A' ' 108' ' ' ILE . 82.0 m -81.17 -40.3 24.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.376 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 33.1 m -91.75 29.62 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.467 ' CG2' HD13 ' A' ' 63' ' ' ILE . 19.5 p -143.47 -48.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.441 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.17 -9.1 58.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 64.49 23.56 12.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.416 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -141.9 -156.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.001 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 97.1 t -135.53 127.97 17.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 127.52 10.75 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.474 1.776 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -99.64 3.95 45.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -109.85 57.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -123.74 -173.84 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.5 -0.18 8.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.454 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.3 OUTLIER -56.19 -176.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.561 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -110.12 -176.58 0.4 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.561 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.1 Cg_endo -75.06 -20.05 17.13 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.19 -19.91 56.23 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.454 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 6.6 mm100 -95.22 -42.2 8.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.7 t -52.81 -46.33 51.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 48.4 mt -40.31 -50.78 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -47.01 -54.02 11.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 43.1 mt -50.35 -44.45 54.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -63.43 -51.9 63.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.624 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.57 -57.13 14.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.413 HG21 ' CE1' ' A' ' 107' ' ' PHE . 55.3 t -47.02 -43.31 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.416 ' CD2' ' HA ' ' A' ' 115' ' ' SER . 3.7 tp -57.65 -69.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -45.22 -31.87 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.346 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.72 -51.34 65.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -72.31 -26.04 61.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.316 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -52.43 -54.61 29.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.23 -44.43 22.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -47.78 -40.96 22.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -47.4 -34.29 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 95.7 mt -43.27 -79.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -97.81 78.59 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 33.2 t -124.53 -53.57 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -44.42 160.05 0.11 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.92 2.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 13.3 p -72.76 96.95 2.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 75.6 m 64.43 163.44 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.77 169.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 0.738 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -173.37 159.0 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.027 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.4 -92.51 0.09 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m 61.64 89.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 0.0 109.992 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.99 111.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.58 -93.19 0.25 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 46.74 76.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 110.322 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.59 113.99 15.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -54.73 -55.28 31.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 64.81 105.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.35 165.4 19.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mp -101.82 123.54 55.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 m -117.46 81.66 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.404 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -140.4 143.69 35.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.7 mt -43.58 141.99 1.94 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.365 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 115.49 4.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.457 ' C ' ' CD1' ' A' ' 18' ' ' LEU . 1.4 tm? -59.52 135.12 57.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.1 m-30 -115.18 -24.34 8.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.423 ' N ' HD13 ' A' ' 18' ' ' LEU . 4.2 t80 -176.79 144.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 110.986 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.98 123.3 9.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.24 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.67 136.45 3.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -44.11 99.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.2 tp -106.68 148.31 28.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.52 HD23 ' CG ' ' A' ' 36' ' ' HIS . 11.2 mt -96.48 127.08 42.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.433 ' O ' ' CD2' ' A' ' 31' ' ' TYR . 14.4 mm -114.45 134.85 56.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.562 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -136.33 68.3 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.98 -80.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -161.28 -55.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -70.79 -14.02 72.51 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.433 ' CD2' ' O ' ' A' ' 26' ' ' ILE . 4.9 m-85 -55.04 112.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.47 -24.23 19.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -178.13 148.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 48.6 m-85 -37.49 123.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 61.9 mm-40 -102.66 138.17 39.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.52 ' CG ' HD23 ' A' ' 25' ' ' LEU . 40.5 m80 -88.37 99.14 12.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.611 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 31.3 m-85 -121.79 138.81 54.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -65.81 87.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 80.4 m -82.61 137.52 34.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.391 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -128.99 130.76 47.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.91 117.16 29.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -140.64 128.56 21.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.32 -95.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 p -150.16 20.21 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 0.739 . . . . 0.0 110.408 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.45 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 3.3 m -124.38 119.68 29.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.42 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.9 mt -73.52 113.52 10.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.365 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' A' ' 45' ' ' THR . 83.5 m-85 -101.58 122.28 43.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -102.33 142.49 33.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.566 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 73.4 m-85 -138.91 159.04 43.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.8 p -86.86 -31.51 20.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.391 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -164.5 170.12 16.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -62.96 -45.05 94.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -51.0 -51.08 56.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.8 m -44.34 124.78 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.5 mm -88.55 -50.09 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mp -82.75 140.51 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.566 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 55.1 p90 -78.49 126.48 30.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.05 -43.14 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.343 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.07 156.94 33.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -138.93 162.48 34.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.8 mt -140.58 176.22 8.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.445 ' OD1' ' CG1' ' A' ' 64' ' ' VAL . 13.5 t70 -141.11 126.85 19.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.7 pt -126.91 30.28 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.445 ' CG1' ' OD1' ' A' ' 62' ' ' ASP . 13.4 p -73.04 -32.09 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -94.79 18.51 11.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.401 ' CD1' HD12 ' A' ' 84' ' ' LEU . 5.3 tp -40.2 133.05 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.441 ' O ' ' CB ' ' A' ' 68' ' ' CYS . 1.2 m -91.2 -28.05 18.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.413 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 67' ' ' THR . 0.8 OUTLIER 164.44 -179.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 108.294 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.564 HD11 ' CD1' ' A' ' 82' ' ' PHE . 1.6 tt -145.05 136.03 24.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.434 HG23 ' NE2' ' A' ' 72' ' ' GLN . 15.3 t -131.71 -161.89 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.37 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -129.41 133.85 47.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.434 ' NE2' HG23 ' A' ' 70' ' ' THR . 17.8 mp0 -99.17 125.1 44.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -72.88 142.25 47.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.93 -59.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 55.4 m -118.52 127.41 53.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.422 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -50.12 173.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.257 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.01 130.23 3.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 178.2 -49.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.451 ' HA ' ' CA ' ' A' ' 98' ' ' THR . 31.2 p -142.37 168.93 18.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.583 1.177 . . . . 0.0 108.289 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.444 ' CB ' ' HA3' ' A' ' 101' ' ' GLY . . . -92.26 126.94 37.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -133.07 115.17 14.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.564 ' CD1' HD11 ' A' ' 69' ' ' LEU . 5.9 p90 -139.45 157.17 46.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.423 ' HB ' ' NE2' ' A' ' 72' ' ' GLN . 7.0 m -114.28 120.63 41.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.433 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.431 HD13 ' CD1' ' A' ' 69' ' ' LEU . 3.1 mm? -72.01 105.2 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.2 t -79.64 118.1 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.483 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 1.3 mt -121.13 157.62 54.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.72 8.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -114.83 -58.81 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.483 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 8.3 tt0 -156.68 149.06 23.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -87.24 145.02 26.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 92' ' ' GLN . 71.4 t -125.27 141.39 45.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.416 ' N ' HG13 ' A' ' 91' ' ' VAL . 78.7 mt-30 -101.92 136.52 41.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.0 mp -126.29 151.98 46.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -148.46 142.64 26.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.1 p -118.86 165.23 14.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.63 -50.48 20.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 110.266 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -123.65 136.28 54.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.451 ' CA ' ' HA ' ' A' ' 79' ' ' CYS . 8.5 t -38.49 -45.7 1.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -45.71 -66.44 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.1 t -40.82 -48.22 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.444 ' HA3' ' CB ' ' A' ' 80' ' ' ALA . . . -45.18 -59.32 4.62 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.41 -41.34 19.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.09 -65.83 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.412 ' O ' ' C ' ' A' ' 105' ' ' ARG . 68.7 m95 -51.15 -65.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 108.045 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.46 ' CG ' HD23 ' A' ' 69' ' ' LEU . 9.4 ttp180 -37.29 -66.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -48.21 -50.38 22.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.47 -41.15 80.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 111' ' ' VAL . 1.4 mp -64.89 -60.02 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.6 mt -45.44 -26.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.41 ' N ' ' C ' ' A' ' 108' ' ' ILE . 99.0 m -79.84 -40.69 27.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 108' ' ' ILE . 34.2 m -91.66 29.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 108' ' ' ILE . 24.9 p -147.92 -45.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.409 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.36 -12.11 50.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 110.329 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 64.45 26.27 13.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.261 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.49 -162.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.979 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 60.8 t -132.47 122.9 18.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.52 5.3 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.801 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -90.85 30.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -134.47 51.14 2.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.2 m -121.58 138.06 53.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -69.89 -9.83 56.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.414 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.4 OUTLIER -50.95 -179.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.579 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -109.05 -175.73 0.36 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.579 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -75.02 -19.95 17.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -83.38 -22.85 55.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.414 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 6.9 mm100 -94.68 -43.48 8.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 54.0 t -52.31 -43.9 41.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 124' ' ' PRO . 30.0 mt -41.56 -50.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -44.54 -55.35 5.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 19.6 mt -48.23 -46.42 35.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -61.94 -46.3 89.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.598 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -64.15 -59.61 4.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 56.1 t -44.89 -44.22 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.6 tp -55.51 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -47.33 -35.08 7.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.35 -51.98 66.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 2.0 pt-20 -71.73 -26.26 62.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 19.0 mttm -52.58 -55.17 24.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 142' ' ' ILE . 0.3 OUTLIER -45.7 -50.36 13.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -41.25 -43.2 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.0 -38.31 7.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 139' ' ' LYS . 94.6 mt -43.27 -78.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.4 -56.04 26.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.1 m -73.19 93.06 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -89.48 161.59 29.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 70.29 5.36 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 52.8 p -96.47 148.94 22.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 47.5 t -96.68 163.48 12.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -175.3 97.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 0.0 110.015 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 p -128.32 164.59 22.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.21 72.88 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.66 126.4 29.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -121.98 -57.84 1.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.016 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.33 98.49 1.62 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -122.42 92.36 3.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.578 0.81 . . . . 0.0 110.319 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.2 112.65 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -71.71 102.03 2.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 mt -83.89 142.25 30.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -146.32 138.59 25.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mp 65.21 142.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.8 m -160.42 131.29 5.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.63 104.54 9.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.402 HD21 ' N ' ' A' ' 43' ' ' GLY . 4.0 mt -144.56 115.05 5.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 111.48 3.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.772 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.447 ' C ' ' CD1' ' A' ' 18' ' ' LEU . 1.4 tm? -56.49 135.87 54.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -114.07 -26.13 8.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.425 ' N ' HD12 ' A' ' 18' ' ' LEU . 7.9 t80 -176.09 144.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -143.52 140.13 30.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.97 125.31 0.85 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.423 ' CG ' ' NE2' ' A' ' 36' ' ' HIS . 7.4 m-85 -37.53 98.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 0.791 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.46 ' HB3' ' CB ' ' A' ' 39' ' ' THR . 20.3 tp -100.99 150.05 23.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.9 mt -101.95 124.98 48.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.524 HG13 ' CE1' ' A' ' 48' ' ' PHE . 11.4 mm -112.88 137.33 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.526 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -140.59 63.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.46 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 9.6 mtm105 -60.02 174.78 0.46 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.41 90.9 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.038 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 148.39 -44.3 0.77 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.46 ' CE1' ' HG3' ' A' ' 28' ' ' ARG . 26.2 m-85 -44.47 121.16 2.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -24.25 67.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -174.95 150.35 1.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.526 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 50.6 m-85 -44.24 127.53 5.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 111.045 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.502 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 49.9 mm-40 -103.6 149.84 24.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.423 ' NE2' ' CG ' ' A' ' 23' ' ' PHE . 50.0 t-80 -97.02 103.55 15.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.578 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.502 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 48.3 m-85 -130.34 148.08 52.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' TYR . 74.4 t-105 -72.83 90.84 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.46 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . 46.0 m -85.04 137.11 33.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.391 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -133.6 133.61 42.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.442 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.8 OUTLIER -90.88 116.37 28.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -134.89 127.02 29.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.402 ' N ' HD21 ' A' ' 16' ' ' LEU . . . 56.09 -103.92 0.29 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 p -138.7 14.97 2.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 110.37 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.429 HG22 ' CZ ' ' A' ' 47' ' ' PHE . 1.5 m -123.99 125.2 44.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.2 mt -76.04 125.71 29.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.429 ' CZ ' HG22 ' A' ' 45' ' ' THR . 91.3 m-85 -114.31 120.01 38.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.524 ' CE1' HG13 ' A' ' 26' ' ' ILE . 38.4 m-85 -101.17 137.57 39.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.455 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 75.9 m-85 -130.65 166.69 20.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.2 p -97.06 -31.63 12.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.443 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -159.44 175.16 13.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -79.94 -21.64 43.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -76.91 -18.89 58.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -75.72 135.77 40.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 110.037 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.4 mm -95.66 -47.12 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.4 mt -88.52 134.39 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.455 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 50.8 p90 -74.12 130.92 40.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.0 p -53.06 -37.79 27.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -164.38 156.93 16.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -136.35 164.79 27.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.1 mt -136.36 178.62 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.33 133.62 28.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.2 pt -134.46 14.55 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.82 -31.18 50.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.89 11.82 36.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -41.52 127.02 3.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -77.21 -43.81 32.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -179.11 -178.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 108.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.538 ' CD2' ' NH1' ' A' ' 105' ' ' ARG . 2.2 tt -135.86 125.6 25.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.8 p -99.01 -168.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -129.68 163.09 26.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.489 ' OE1' ' CA ' ' A' ' 82' ' ' PHE . 4.1 mp0 -121.32 130.81 53.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -55.55 147.73 17.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.7 -61.21 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.9 m 62.9 121.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 72.44 -58.47 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.11 124.77 21.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -96.35 88.29 4.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -149.62 179.9 7.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.443 ' CB ' ' HA3' ' A' ' 101' ' ' GLY . . . -124.71 121.07 33.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 72' ' ' GLN . 20.0 mtpt -134.16 115.48 14.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.489 ' CA ' ' OE1' ' A' ' 72' ' ' GLN . 8.9 p90 -140.39 153.05 46.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.6 m -109.21 145.67 35.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.393 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -92.27 116.16 28.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 28.9 t -92.58 121.85 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 1.3 mt -124.6 157.88 63.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.21 9.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -114.58 -55.99 2.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.498 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 4.9 tt0 -160.44 149.16 16.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -88.99 154.88 19.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.6 t -135.89 156.86 38.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -102.59 143.06 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.3 128.38 35.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -141.5 142.63 33.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.1 p -119.24 -159.23 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -96.33 -67.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -109.05 169.65 8.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.57 -40.49 97.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.372 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -48.4 -61.33 2.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -23.04 34.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.443 ' HA3' ' CB ' ' A' ' 80' ' ' ALA . . . -68.72 -62.96 3.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -53.2 -26.6 18.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.605 ' OE1' ' CD2' ' A' ' 107' ' ' PHE . 1.2 mm-40 -63.38 -69.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.486 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 93.9 m95 -53.16 -56.74 14.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 108.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.538 ' NH1' ' CD2' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -41.28 -41.8 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.9 -57.09 3.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.565 1.166 . . . . 0.0 110.976 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.605 ' CD2' ' OE1' ' A' ' 103' ' ' GLU . 2.2 m-85 -46.21 -42.69 14.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 104' ' ' TRP . 2.0 mp -67.91 -59.01 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.4 mt -44.69 -26.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.423 ' CG2' ' O ' ' A' ' 130' ' ' LEU . 94.0 m -78.6 -42.17 29.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.37 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 108' ' ' ILE . 33.8 m -91.59 30.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 108' ' ' ILE . 30.2 p -149.26 -45.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.422 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -88.19 -6.99 57.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.416 HD23 ' N ' ' A' ' 114' ' ' LEU . 2.5 mm? 57.93 23.83 10.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.6 t -139.18 -169.95 2.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 62.0 t -128.4 120.33 20.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 122.74 7.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.522 1.801 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.33 -11.62 34.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -93.22 64.44 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.1 m -132.48 166.66 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.84 -6.15 40.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.967 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.471 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.2 OUTLIER -55.36 -178.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.557 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -109.43 -176.34 0.39 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.01 -15.15 20.88 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.526 1.803 . . . . 0.0 110.959 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -91.23 -27.13 19.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.471 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 3.0 mm100 -85.93 -35.24 20.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.9 t -60.49 -33.34 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 37.8 mt -49.16 -49.48 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.432 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 7.2 mmmm -46.62 -56.59 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.423 ' O ' ' CG2' ' A' ' 110' ' ' THR . 11.3 mt -47.59 -44.79 26.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -63.14 -54.75 32.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.598 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -58.3 -60.37 3.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 61.3 t -43.1 -45.88 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.4 ' O ' ' CG ' ' A' ' 137' ' ' GLU . 3.3 tp -55.44 -70.85 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -46.65 -32.58 3.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -62.57 -44.5 96.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 4.0 pt-20 -80.14 -28.57 38.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 31.7 mttt -51.18 -41.32 60.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.43 -65.89 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.81 -50.5 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.358 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 138' ' ' LYS . 23.8 mmt-85 -43.93 -44.53 7.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 10.8 mt -44.42 -80.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 145' ' ' GLY . 6.9 mt-10 -39.54 -55.69 1.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.4 t 69.86 -60.93 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 143' ' ' GLU . . . 94.6 -157.92 22.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 112.64 3.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 75.3 m 55.68 171.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.0 137.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.148 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.553 1.158 . . . . 0.0 111.032 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 p -130.66 85.64 2.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 0.745 . . . . 0.0 109.963 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.3 t -178.69 102.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.037 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.67 167.9 38.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.7 m -77.15 158.7 30.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -76.02 -55.28 5.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.038 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.22 -102.76 2.45 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.52 175.01 8.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 0.801 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.79 133.48 23.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.73 88.17 2.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 11' ' ' LEU . 4.1 mm? -68.65 -179.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.8 pttt -131.3 134.77 46.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 tt -40.8 134.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.3 m 58.92 64.91 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.99 145.6 25.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 mt -62.55 145.57 94.84 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 117.75 5.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.431 ' CD2' ' OE1' ' A' ' 21' ' ' GLU . 8.0 tp -73.28 142.02 47.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -122.63 -52.09 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.6 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 2.9 t80 -144.2 159.48 42.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' OE1' ' CD2' ' A' ' 18' ' ' LEU . 5.1 pm0 -162.06 122.18 2.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.49 135.78 3.6 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -38.93 100.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 93' ' ' LEU . 21.0 tp -106.98 154.24 21.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.52 HD21 ' CG ' ' A' ' 36' ' ' HIS . 9.2 mt -101.31 127.12 48.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.5 mm -114.88 130.06 69.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 1.1 ttmt -132.99 75.85 1.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.574 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -54.06 -169.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.1 t -67.69 -40.33 84.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.97 70.98 0.21 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.574 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 1.1 m-85 -129.63 109.4 10.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 0.733 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -40.27 -28.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 31' ' ' TYR . 3.4 pt-20 175.23 165.46 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 61.4 m-85 -51.67 120.63 5.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.544 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 55.5 mm-40 -102.23 132.85 47.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.52 ' CG ' HD21 ' A' ' 25' ' ' LEU . 32.5 m80 -81.77 107.96 14.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.544 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 24.7 m-85 -132.46 140.66 48.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' TYR . 74.0 t-105 -67.58 90.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 107.977 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 55.4 m -83.32 136.35 34.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -123.92 125.34 44.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 107' ' ' PHE . 0.4 OUTLIER -90.98 116.41 28.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' THR . 25.6 mtt180 -136.88 127.02 26.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.35 -91.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.429 1.081 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.533 ' HB ' ' CG1' ' A' ' 64' ' ' VAL . 1.4 p -148.5 45.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.4 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 78.0 m -146.16 117.04 7.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.421 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.0 mt -78.89 100.05 7.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -87.95 121.56 30.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -104.49 131.83 51.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.401 ' O ' ' N ' ' A' ' 38' ' ' TRP . 66.0 m-85 -128.43 159.39 35.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.6 p -74.68 -27.36 60.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.354 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -167.54 -70.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.405 ' C ' ' N ' ' A' ' 54' ' ' SER . 7.7 ttpt -172.2 -61.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.41 -31.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 52' ' ' LYS . 19.6 t -54.1 120.15 6.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -85.05 -55.19 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.0 mt -85.85 97.4 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -37.39 136.94 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.9 p -58.43 -36.06 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -169.79 153.96 5.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -134.32 163.2 30.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.3 mt -146.5 175.48 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.8 149.7 40.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 7.2 pt -129.67 17.32 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.533 ' CG1' ' HB ' ' A' ' 44' ' ' THR . 16.5 m -62.8 -31.9 53.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.428 ' N ' HG21 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -99.19 12.07 37.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.446 ' CD2' ' HB ' ' A' ' 112' ' ' THR . 0.5 OUTLIER -41.86 129.9 3.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -86.82 -31.3 20.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.416 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 167.3 -179.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 108.276 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.476 HD22 ' CG ' ' A' ' 105' ' ' ARG . 0.7 OUTLIER -129.54 144.03 51.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 10.5 p -114.28 164.86 13.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -129.2 151.66 49.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 110.266 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -120.5 117.97 29.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -72.64 129.51 38.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.37 162.03 14.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.063 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.5 t -97.87 -14.17 20.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.387 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.502 ' O ' ' CE ' ' A' ' 77' ' ' LYS . 1.1 tm-20 -146.71 159.84 42.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.502 ' CE ' ' O ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER 39.63 -152.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -137.73 123.79 20.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 76.6 m -132.49 164.55 26.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 108.305 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.17 113.75 26.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -136.54 113.51 10.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.494 ' CB ' ' O ' ' A' ' 70' ' ' THR . 5.9 p90 -141.09 157.51 45.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.8 m -117.5 137.91 52.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -86.38 109.32 18.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 56.9 t -85.49 120.72 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.2 mt -125.5 156.71 70.09 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 0.57 8.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -113.11 -58.07 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -156.69 150.07 24.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -89.46 136.13 33.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 92' ' ' GLN . 55.6 t -117.75 138.77 47.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.409 ' N ' HG13 ' A' ' 91' ' ' VAL . 68.3 mt-30 -100.85 138.47 37.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.469 ' CD2' HD22 ' A' ' 24' ' ' LEU . 5.4 mp -126.71 160.75 29.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -152.24 135.18 15.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 96' ' ' GLU . 69.7 p -119.35 -36.53 3.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 95' ' ' THR . 4.7 mt-10 77.85 -53.91 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -82.55 131.53 35.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 m -59.77 -48.5 81.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -46.97 -68.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.84 -41.8 78.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.048 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -52.35 -62.76 5.46 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' A' ' 121' ' ' SER . 0.7 OUTLIER -57.25 -31.66 65.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.6 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 3.7 mt-10 -60.45 -68.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -48.59 -64.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 108.032 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.476 ' CG ' HD22 ' A' ' 69' ' ' LEU . 7.8 ttp180 -39.34 -36.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.91 -56.22 4.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.515 ' CE2' HG21 ' A' ' 133' ' ' VAL . 10.3 m-85 -53.1 -39.4 63.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.784 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.5 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 1.5 mp -70.65 -59.89 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 43.4 mt -44.51 -25.98 0.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 134' ' ' LEU . 90.2 m -79.74 -41.73 26.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.376 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.5 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 31.0 m -90.65 29.29 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.446 ' HB ' ' CD2' ' A' ' 66' ' ' LEU . 18.0 p -146.51 -44.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.81 -15.57 44.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 68.7 29.04 5.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.54 -160.5 1.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 86.0 t -128.0 127.09 23.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 130.04 12.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.771 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -93.8 -14.6 26.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -89.31 59.93 5.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 1.4 m -128.84 147.13 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.416 ' N ' ' OE1' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -86.9 -8.64 57.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.064 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.425 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.2 OUTLIER -51.86 -179.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.573 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -108.74 -175.95 0.38 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.2 Cg_endo -75.05 -16.0 20.32 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.528 1.804 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.94 -29.17 23.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.425 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 5.7 mm100 -86.63 -40.05 15.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 130' ' ' LEU . 48.1 t -54.4 -39.09 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.42 ' CG2' ' OE2' ' A' ' 132' ' ' GLU . 28.1 mt -42.86 -48.97 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.486 ' O ' ' CG2' ' A' ' 133' ' ' VAL . 5.7 mmmm -52.23 -45.56 65.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 127' ' ' VAL . 45.5 mt -60.53 -35.01 74.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -75.7 -54.05 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.643 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.42 ' OE2' ' CG2' ' A' ' 128' ' ' ILE . 44.4 mt-10 -59.83 -48.64 80.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.515 HG21 ' CE2' ' A' ' 107' ' ' PHE . 54.3 t -53.6 -41.45 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.466 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 3.3 tp -60.02 -67.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -51.08 -23.01 2.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 3.6 mmt180 -71.15 -52.87 16.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.477 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 1.0 OUTLIER -71.3 -27.84 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.477 ' N ' ' HG2' ' A' ' 137' ' ' GLU . 30.8 mttt -55.41 -41.82 73.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -65.85 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 9.6 mtp85 -45.36 -54.11 7.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 23.9 mmt-85 -38.82 -47.33 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.7 mt -43.76 -79.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -39.22 -60.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 31.9 m -41.36 -58.21 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 160.69 177.4 33.76 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 164.35 33.48 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.437 1.756 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.09 145.62 42.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.995 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.67 -58.12 2.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.8 p -171.04 148.52 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.967 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 t -176.81 93.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.95 101.14 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -145.31 158.0 43.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 0.805 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.45 147.42 45.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 110.048 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.87 116.1 1.22 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -123.83 88.67 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -148.31 142.44 26.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -120.04 89.5 3.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -58.23 155.59 11.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -107.44 93.28 4.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 mp -86.93 126.97 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.5 m -151.89 117.7 5.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.377 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 72.84 -74.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mt -137.18 132.1 17.91 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 110.25 3.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.454 ' C ' ' CD1' ' A' ' 18' ' ' LEU . 1.4 tm? -65.17 136.05 56.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.571 ' CG ' ' CG1' ' A' ' 133' ' ' VAL . 19.4 m-85 -113.21 -26.88 8.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.472 ' HB2' ' CE2' ' A' ' 107' ' ' PHE . 11.3 t80 -177.08 148.6 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 1.4 pt-20 -145.68 129.52 17.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.62 148.9 11.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.425 ' CG ' ' CE1' ' A' ' 36' ' ' HIS . 5.0 m-85 -58.19 99.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.2 tp -99.87 149.5 23.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.36 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 mt -101.71 121.06 41.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.57 HG13 ' CE1' ' A' ' 48' ' ' PHE . 12.6 mm -110.05 139.31 33.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.562 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 3.8 tttt -128.47 89.67 2.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.584 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -74.72 -167.21 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.0 p -80.44 -48.54 12.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.34 -20.88 79.52 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.584 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 3.5 m-30 -62.48 115.84 4.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 0.795 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -58.04 -23.55 54.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.157 . . . . 0.0 110.346 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -177.88 160.92 1.53 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.482 1.114 . . . . 0.0 110.249 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.562 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 43.1 m-85 -37.6 128.73 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.401 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 63.7 mm-40 -107.95 146.73 32.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 110.325 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.425 ' CE1' ' CG ' ' A' ' 23' ' ' PHE . 6.9 t-80 -94.43 115.97 28.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.561 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 32.5 m-85 -142.88 145.88 33.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.526 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 66.1 t-105 -73.45 85.14 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 107.977 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.43 HG21 ' CD1' ' A' ' 48' ' ' PHE . 40.6 m -81.71 136.73 35.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.428 1.08 . . . . 0.0 110.381 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.449 ' HG2' ' CB ' ' A' ' 21' ' ' GLU . 46.3 mt-10 -128.35 131.13 48.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.572 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.2 OUTLIER -90.7 116.4 28.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.459 ' HB2' ' CD2' ' A' ' 47' ' ' PHE . 8.6 mtt180 -136.57 127.89 28.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.4 -101.15 0.11 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -140.93 13.81 2.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 110.403 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.8 m -119.32 129.48 54.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.417 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.1 mt -79.86 117.58 20.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.459 ' CD2' ' HB2' ' A' ' 42' ' ' ARG . 76.0 m-85 -103.95 120.46 41.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.57 ' CE1' HG13 ' A' ' 26' ' ' ILE . 75.3 m-85 -103.63 144.0 32.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -133.92 146.43 50.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 p -73.62 -32.39 64.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.381 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -176.32 164.24 2.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -50.54 -46.57 57.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -44.56 -42.99 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -58.12 133.61 55.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.0 pp -110.02 -35.95 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.441 ' CG2' ' N ' ' A' ' 57' ' ' TYR . 46.6 mm -74.18 -106.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 0.2 OUTLIER 179.22 147.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.8 p -86.06 -34.79 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.59 179.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -161.27 167.58 25.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.0 mt -140.81 178.15 7.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -129.98 127.82 40.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.349 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.0 pt -126.86 21.34 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.7 p -76.01 -33.27 24.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.14 14.09 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.8 tp -41.12 127.74 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -83.87 -28.98 27.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 166.8 -177.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 108.363 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.83 130.3 39.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.103 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.6 p -103.3 171.6 7.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.435 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -128.79 118.82 23.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -86.73 117.18 25.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -88.68 147.85 24.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -119.95 -58.78 1.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.4 m -137.9 -66.37 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -170.78 71.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.8 tptt 63.92 141.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -179.59 -54.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 63.2 m -137.77 168.13 20.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 108.297 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.403 ' CB ' ' HA3' ' A' ' 101' ' ' GLY . . . -88.93 115.95 26.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -133.96 118.5 17.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 93' ' ' LEU . 7.8 p90 -147.22 151.39 36.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.5 m -109.66 143.63 39.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.407 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -90.6 113.14 25.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.5 t -90.96 112.86 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 mt -119.17 156.18 52.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.74 8.55 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.488 1.783 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -113.07 -58.49 2.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -155.87 149.69 25.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -92.81 145.06 24.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.8 t -130.12 156.72 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.365 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -108.49 141.93 39.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.345 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.46 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 1.3 mp -132.46 139.93 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -147.14 143.96 28.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.4 p -120.27 170.58 9.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -117.45 36.51 4.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -176.75 124.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -45.5 -40.14 8.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -60.59 -61.88 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.5 m -42.94 -43.41 4.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.403 ' HA3' ' CB ' ' A' ' 80' ' ' ALA . . . -51.87 -68.77 1.39 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -54.53 -30.62 54.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 110.306 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.2 -67.38 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.572 ' CZ3' ' HB2' ' A' ' 41' ' ' LEU . 72.9 m95 -58.3 -60.84 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -38.93 -52.09 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.62 -53.18 29.47 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.099 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.472 ' CE2' ' HB2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -51.23 -41.83 60.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 111.008 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 104' ' ' TRP . 1.9 mp -66.39 -60.23 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.4 mt -45.61 -25.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 134' ' ' LEU . 80.6 m -80.32 -40.56 26.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.481 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 28.3 m -92.27 28.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 108' ' ' ILE . 22.4 p -146.6 -45.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.74 -16.12 39.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 69.69 25.8 5.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -144.86 -160.17 1.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 66.9 t -134.35 122.8 16.17 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 124.51 8.69 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -85.85 -11.98 51.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -91.01 64.14 5.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 15.6 m -134.89 139.22 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -4.73 51.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.466 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.6 OUTLIER -52.68 179.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.564 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -106.7 -176.29 0.41 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.564 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.96 -21.52 15.85 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -84.66 -19.95 59.07 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.466 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 6.2 mm100 -96.05 -41.52 8.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 25.3 t -55.03 -41.29 58.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.441 ' CD1' ' O ' ' A' ' 124' ' ' PRO . 33.6 mt -44.93 -50.77 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -43.2 -58.84 2.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 16.0 mt -46.27 -44.95 16.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -61.62 -55.29 32.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.581 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -58.99 -60.55 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.17 . . . . 0.0 110.312 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.571 ' CG1' ' CG ' ' A' ' 19' ' ' TYR . 95.4 t -46.21 -48.58 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.455 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 0.5 OUTLIER -44.26 -67.91 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -46.34 -52.96 11.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' A' ' 136' ' ' ARG . 1.1 mpt_? -44.94 -35.57 2.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 138' ' ' LYS . 5.4 tp10 -81.89 -48.74 11.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 137' ' ' GLU . 51.9 mttt -38.86 -33.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 137' ' ' GLU . 0.0 OUTLIER -67.29 -69.47 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -58.06 -16.46 12.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 142' ' ' ILE . 0.0 OUTLIER -70.52 -24.85 62.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.471 ' N ' ' HG3' ' A' ' 141' ' ' ARG . 35.4 mt -51.22 -82.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -39.43 -70.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.7 m -109.21 134.92 51.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 179.95 -176.74 47.64 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 123.24 7.78 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.52 116.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.5 t -102.61 133.99 46.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -95.84 116.16 28.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 0.745 . . . . 0.0 110.019 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 70.84 150.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.991 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.63 121.03 0.55 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t 50.65 -157.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 110.018 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -119.65 -54.12 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.946 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.16 -82.4 0.39 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 62.94 -84.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.245 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -100.53 160.25 14.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.02 -54.07 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.8 mt 52.47 94.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -114.26 137.57 51.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mp -84.39 130.28 36.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.3 m 50.69 95.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.83 130.85 16.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mt -50.32 146.39 8.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 120.86 6.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 tp -73.74 150.45 41.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.402 ' CG ' HG13 ' A' ' 133' ' ' VAL . 21.6 m-85 -127.75 -50.32 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.595 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 16.2 t80 -149.06 154.14 38.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.52 151.24 36.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.65 141.75 3.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -51.93 105.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.746 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.9 tp -106.72 160.34 15.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 mt -114.69 121.2 42.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 mm -110.99 129.37 66.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.556 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -128.77 71.22 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.17 -168.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.71 -74.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 32' ' ' ARG . . . -58.88 -117.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.525 ' O ' ' CB ' ' A' ' 32' ' ' ARG . 2.7 m-85 57.71 -82.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.525 ' CB ' ' O ' ' A' ' 31' ' ' TYR . 10.4 tpp180 86.64 0.33 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.352 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -164.05 128.1 2.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.556 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 71.4 m-85 -60.4 123.93 18.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.534 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 21.7 mm-40 -107.65 140.6 40.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -80.98 124.29 29.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.581 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 40.0 m-85 -144.87 135.78 24.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' TYR . 74.9 t-105 -63.69 86.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 107.985 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.418 HG22 ' CH2' ' A' ' 104' ' ' TRP . 65.6 m -81.65 130.67 35.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.405 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -122.41 127.85 50.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.02 118.75 30.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -140.18 127.45 21.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.18 -96.58 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 p -147.36 22.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 0.789 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.414 HG23 ' CE2' ' A' ' 47' ' ' PHE . 1.7 m -124.92 121.04 33.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.8 mt -76.79 114.64 15.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.414 ' CE2' HG23 ' A' ' 45' ' ' THR . 69.6 m-85 -106.39 118.78 37.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -103.11 139.37 38.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.545 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 69.5 m-85 -133.83 159.13 41.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.8 p -85.8 -32.25 21.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 110.357 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -166.6 154.03 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -58.48 -23.81 58.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -67.97 -30.06 69.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -73.36 135.31 44.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -90.18 -42.42 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.6 mp -89.37 147.51 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 50.6 p90 -87.1 125.04 33.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.8 p -48.42 -44.43 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.3 156.12 30.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.482 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 7.2 pttt -136.74 160.93 37.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mt -130.87 -179.52 5.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -146.52 125.35 12.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.434 ' CD1' HG21 ' A' ' 108' ' ' ILE . 16.1 pt -125.79 17.51 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.3 p -61.85 -40.57 87.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.26 16.54 11.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.44 129.1 8.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.25 -33.48 29.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.441 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.11 -172.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 108.297 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -138.04 130.04 28.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.475 ' OG1' ' N ' ' A' ' 71' ' ' GLU . 1.9 t -117.69 179.56 4.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.475 ' N ' ' OG1' ' A' ' 70' ' ' THR . 23.2 mt-10 -124.86 138.6 54.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -107.65 149.16 28.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.35 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -146.34 144.64 29.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.84 -60.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.952 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 47.2 p -75.06 -54.31 7.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.389 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -178.99 162.53 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -107.65 86.99 2.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -120.77 -55.0 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.6 p -97.01 176.27 6.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 108.329 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.411 ' CB ' ' HA3' ' A' ' 101' ' ' GLY . . . -88.71 114.32 25.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -122.02 115.2 22.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.507 ' CE1' ' HB3' ' A' ' 93' ' ' LEU . 10.6 p90 -140.26 155.69 46.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.5 m -114.55 137.31 52.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.421 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.472 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.3 mm? -84.26 110.11 18.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 43.1 t -82.61 121.91 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 1.1 mt -125.33 156.56 69.87 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.88 8.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -114.36 -57.46 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.481 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 3.9 tt0 -158.8 149.96 20.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.91 145.72 25.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 74.0 t -126.35 146.54 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -97.04 131.84 43.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.507 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -125.69 121.67 34.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.507 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -125.96 149.71 48.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.4 p -122.77 159.79 27.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.54 -60.68 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -106.08 -170.36 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 t -89.96 -42.31 11.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -50.85 -67.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.2 p -47.99 -27.23 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.411 ' HA3' ' CB ' ' A' ' 80' ' ' ALA . . . -55.81 -56.72 22.44 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.413 1.071 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -35.79 81.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.763 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.595 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 2.2 tt0 -47.74 -60.24 2.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.454 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 77.6 m95 -60.52 -64.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 104' ' ' TRP . 0.6 OUTLIER -37.44 -53.94 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -58.56 -56.56 24.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.435 ' CE1' HG23 ' A' ' 133' ' ' VAL . 1.0 OUTLIER -55.03 -40.91 70.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 111.02 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.476 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 1.5 mp -65.05 -57.88 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.4 mt -45.13 -27.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 134' ' ' LEU . 89.5 m -78.98 -42.02 27.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.413 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.476 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 33.6 m -90.64 30.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 108' ' ' ILE . 25.4 p -146.09 -45.36 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.54 -16.12 33.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.413 HD11 ' CD ' ' A' ' 141' ' ' ARG . 2.3 mm? 70.43 23.51 4.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 t -141.62 -164.98 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 50.4 t -131.06 124.94 20.87 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.03 4.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.793 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -92.23 -19.04 22.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -89.81 16.52 7.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.91 -170.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -117.19 -30.7 5.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.052 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.426 ' CD2' ' HA ' ' A' ' 103' ' ' GLU . 1.4 tp -40.66 159.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.601 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.3 mm? -65.23 169.58 5.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.601 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -74.99 -7.57 19.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.443 ' HA2' ' CD1' ' A' ' 128' ' ' ILE . . . -97.07 -35.13 5.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -72.76 -41.55 64.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.2 t -51.2 -34.2 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.443 ' CD1' ' HA2' ' A' ' 125' ' ' GLY . 29.3 mt -50.1 -47.18 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -45.08 -55.47 5.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.8 mt -46.75 -44.73 19.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -59.48 -43.81 93.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.611 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -71.25 -53.79 13.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.435 HG23 ' CE1' ' A' ' 107' ' ' PHE . 43.8 t -51.49 -38.82 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.455 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 3.2 tp -60.29 -72.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -41.04 -30.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -52.44 57.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.558 ' CB ' ' NH2' ' A' ' 140' ' ' ARG . 1.4 pt-20 -71.43 -28.1 63.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.447 ' HG3' ' CD1' ' A' ' 134' ' ' LEU . 13.5 mttm -53.39 -45.67 69.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -55.96 -37.11 68.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.558 ' NH2' ' CB ' ' A' ' 137' ' ' GLU . 31.6 mtm105 -73.44 -24.88 60.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.454 ' NH1' ' HB3' ' A' ' 141' ' ' ARG . 0.1 OUTLIER -69.61 -26.34 64.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.43 ' N ' HD13 ' A' ' 142' ' ' ILE . 3.2 mm -48.58 -83.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -43.88 -63.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.333 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.6 t 76.77 149.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -153.01 -160.7 9.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.56 31.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.491 1.784 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 26.2 p -139.54 141.68 37.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 5.2 t 72.07 -64.83 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 t -135.52 104.97 6.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 p -171.99 149.13 2.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.59 82.49 0.07 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -172.44 117.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.777 . . . . 0.0 109.983 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 p -178.52 133.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.02 114.37 2.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.99 163.42 36.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -139.04 -57.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.26 103.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.8 mt -80.29 -64.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.86 69.87 0.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 pp -139.82 112.82 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.5 m -129.41 92.41 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.54 54.91 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 mt -97.73 123.14 52.9 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.452 ' CG ' ' HD2' ' A' ' 136' ' ' ARG . 18.2 Cg_endo -74.98 117.51 4.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.438 1.757 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.473 ' C ' ' CD1' ' A' ' 18' ' ' LEU . 1.1 tm? -60.63 135.12 57.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.53 ' CD2' HG13 ' A' ' 133' ' ' VAL . 19.3 m-30 -108.68 -29.46 8.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.533 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 12.9 t80 -179.0 151.55 0.52 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -141.92 167.07 23.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.06 140.3 3.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.125 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -54.22 98.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.0 tp -100.07 157.95 16.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.462 HD22 ' CG ' ' A' ' 36' ' ' HIS . 8.5 mt -111.06 117.13 32.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.557 HG13 ' CE1' ' A' ' 48' ' ' PHE . 17.3 mm -105.17 125.41 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.557 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 2.2 ttmt -125.38 66.37 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -55.91 175.16 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.7 p -70.61 65.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.99 62.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.548 1.155 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -140.54 120.48 13.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -53.29 -25.48 14.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 179.24 160.47 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.557 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 61.6 m-85 -53.83 125.6 19.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.534 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 56.0 mm-40 -105.47 140.67 38.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.462 ' CG ' HD22 ' A' ' 25' ' ' LEU . 77.0 m80 -88.74 110.73 21.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.578 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 37.1 m-85 -131.82 137.15 47.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' TYR . 76.1 t-105 -62.61 85.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.0 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 37' ' ' TYR . 90.1 m -83.48 130.01 35.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -122.48 133.34 54.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.4 OUTLIER -90.96 116.35 28.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -132.33 127.25 35.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.438 ' HA2' ' CE2' ' A' ' 19' ' ' TYR . . . 50.0 -100.9 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 p -137.53 15.21 2.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 110.344 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.481 HG21 ' CE1' ' A' ' 47' ' ' PHE . 6.2 m -122.0 128.27 51.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.3 mt -82.22 130.67 35.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.481 ' CE1' HG21 ' A' ' 45' ' ' THR . 65.3 m-85 -120.39 119.96 34.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.557 ' CE1' HG13 ' A' ' 26' ' ' ILE . 22.3 m-85 -100.7 135.22 42.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.054 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.492 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 68.2 m-85 -130.43 151.57 50.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.954 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.422 ' CG2' ' HB ' ' A' ' 58' ' ' VAL . 13.1 p -84.14 -31.98 24.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -157.29 165.44 35.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -64.83 -33.87 77.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.33 -43.23 95.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.6 m -47.05 129.69 12.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -98.26 -43.26 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.5 mm -91.63 108.0 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.492 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 50.8 p90 -50.53 131.0 24.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.422 ' HB ' ' CG2' ' A' ' 50' ' ' THR . 12.4 p -51.65 -38.31 21.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -167.34 155.55 9.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.417 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 5.5 pttt -132.29 159.73 38.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.4 ' CD1' HG13 ' A' ' 91' ' ' VAL . 4.7 mt -128.61 175.29 8.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -137.22 127.67 26.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.9 pt -132.61 24.21 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.9 p -73.26 -31.7 35.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.72 17.6 20.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 tp -44.16 128.38 5.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -81.77 -35.42 29.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 174.51 -179.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 108.278 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -128.35 126.98 41.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.8 p -103.73 172.32 6.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.402 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -129.78 115.42 17.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.264 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -72.93 114.46 11.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -66.47 158.54 29.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.26 -52.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.959 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.9 m -157.63 147.06 19.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 110.431 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -54.12 90.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.249 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 75' ' ' THR . 3.5 mmtt 65.84 85.98 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -152.58 94.65 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 36.7 m 68.73 162.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 108.32 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -105.37 117.47 34.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -134.35 113.84 12.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.478 ' CE1' ' HB3' ' A' ' 93' ' ' LEU . 7.6 p90 -139.91 149.39 43.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.0 m -107.52 139.5 41.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.402 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.2 mm? -84.89 106.64 16.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.1 t -83.54 112.19 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 mt -116.48 157.57 45.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -0.51 10.06 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.427 1.751 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -112.72 -58.92 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -154.85 148.47 25.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -88.76 139.01 30.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.4 HG13 ' CD1' ' A' ' 61' ' ' LEU . 73.7 t -122.47 154.39 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -105.41 143.46 33.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.478 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -134.22 130.67 37.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 5.6 ttpt -134.15 143.18 47.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 34.4 p -112.73 -166.14 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 110.421 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -112.96 -56.82 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -103.18 175.41 5.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 99.9 m -69.83 -53.06 19.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 100' ' ' SER . 31.1 tt0 -46.49 -62.74 1.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -39.09 -35.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.944 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.92 -67.95 1.91 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -55.97 -28.83 58.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.341 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.533 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 1.5 mt-10 -59.84 -63.01 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 41' ' ' LEU . 90.9 m95 -63.69 -61.39 2.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 107.98 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 104' ' ' TRP . 9.0 ttp180 -38.36 -50.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.05 -52.2 34.17 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.414 ' CE2' ' HB2' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -54.08 -44.44 71.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 0.717 . . . . 0.0 110.994 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.483 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 2.3 mp -65.44 -52.86 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.0 mt -52.32 -21.4 3.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 53.3 m -86.34 -38.54 17.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.387 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.483 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 27.7 m -91.47 22.79 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.408 HG21 ' CG2' ' A' ' 108' ' ' ILE . 41.1 p -136.88 -46.41 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.421 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -87.12 -4.12 59.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 58.74 22.8 10.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.9 t -138.92 -160.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.953 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.6 t -135.29 119.07 13.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 124.73 8.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -94.37 15.29 17.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -106.7 27.81 8.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.409 ' CG2' HG21 ' A' ' 127' ' ' VAL . 21.7 m -102.77 129.86 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -10.37 59.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.6 tp -44.82 160.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.625 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.0 OUTLIER -65.13 169.2 6.03 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.625 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.97 -8.19 19.87 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.63 -33.29 6.2 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -75.13 -41.85 57.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.418 0.717 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.409 HG21 ' CG2' ' A' ' 120' ' ' VAL . 2.2 t -51.38 -35.04 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 131' ' ' HIS . 35.5 mt -52.13 -48.14 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.407 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 5.0 mmmm -42.55 -50.73 5.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 17.9 mt -52.24 -43.62 64.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 128' ' ' ILE . 2.0 m-70 -64.09 -47.3 80.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.651 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -63.82 -57.43 9.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.155 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.53 HG13 ' CD2' ' A' ' 19' ' ' TYR . 53.6 t -47.29 -45.21 9.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.5 tp -54.93 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.17 -35.54 3.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.452 ' HD2' ' CG ' ' A' ' 17' ' ' PRO . 2.5 mmt180 -60.85 -53.17 60.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 1.7 pt-20 -70.47 -26.49 63.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 36.9 mttt -52.86 -54.13 38.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -47.31 -48.46 25.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -43.3 -43.17 4.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -46.62 -37.88 8.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 8.5 mt -52.85 -87.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -45.91 -63.47 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 77.4 p 49.63 90.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -87.23 -150.05 17.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -45.02 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 51.17 85.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 55.2 m 52.77 95.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.04 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.128 . . . . 0.0 110.994 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 m -159.25 134.53 8.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 0.768 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.9 p -122.1 162.59 20.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.48 89.88 0.11 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.93 167.64 2.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.005 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -70.41 151.83 44.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.51 92.97 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.528 1.143 . . . . 0.0 111.043 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -89.76 73.33 7.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.765 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.87 125.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.13 94.33 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -146.87 175.37 10.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -161.47 58.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.8 mm -44.29 118.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.5 m -160.59 118.34 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 71.41 -74.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mt -118.31 142.93 32.09 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 117.5 4.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.525 1.803 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.2 tp -64.2 141.97 58.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -117.82 -36.68 3.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.58 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 11.5 t80 -163.65 152.21 13.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.23 149.95 37.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.98 136.99 2.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -50.59 110.04 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.6 tp -109.92 149.26 30.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.541 HD23 ' CE1' ' A' ' 36' ' ' HIS . 7.1 mt -102.61 128.54 49.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.489 ' O ' ' CD2' ' A' ' 31' ' ' TYR . 11.8 mm -118.04 132.17 68.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 1.3 tttm -110.75 -22.18 11.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.553 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 7.6 mtp180 43.67 -172.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.7 p -39.61 -52.08 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.7 113.81 0.58 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.44 1.088 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.553 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -115.01 -26.48 7.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 111.001 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.535 ' CB ' ' O ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER 86.83 -40.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -157.85 117.44 3.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.572 ' CE2' ' HE2' ' A' ' 94' ' ' LYS . 66.2 m-85 -42.71 124.13 2.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.493 ' O ' ' CD2' ' A' ' 25' ' ' LEU . 4.3 mt-10 -98.79 158.93 15.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.541 ' CE1' HD23 ' A' ' 25' ' ' LEU . 70.0 m80 -106.81 106.96 17.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.639 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -127.29 139.58 52.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' TYR . 76.0 t-105 -62.51 89.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.3 m -82.12 122.97 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -118.32 127.33 53.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.23 116.97 29.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -134.75 127.19 30.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.57 -101.13 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 p -140.18 16.96 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.531 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 3.3 m -121.82 118.31 28.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.421 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.8 mt -73.33 126.86 31.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.531 ' CD2' ' O ' ' A' ' 45' ' ' THR . 96.5 m-85 -117.4 125.71 51.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 61' ' ' LEU . 7.8 m-85 -109.93 127.02 54.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' TRP . 75.5 m-85 -122.3 166.24 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.1 p -77.07 -51.4 11.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.386 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -141.13 -67.75 0.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' LYS . 10.9 tttm -172.32 -62.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' LYS . 18.5 mmmt -40.24 -36.23 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 t -45.05 119.59 2.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -84.55 -55.33 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' TYR . 5.0 mp -89.44 95.18 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.498 ' CZ ' ' HD3' ' A' ' 60' ' ' LYS . 34.7 p90 -37.49 135.52 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.5 p -51.9 -33.18 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.354 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -174.55 156.72 2.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.498 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 41.9 pttt -133.84 163.95 28.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 3.7 mt -128.36 -176.77 3.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -143.6 125.17 14.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.9 pt -133.37 24.5 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 65' ' ' ASP . 9.6 p -74.74 -38.03 43.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.41 ' N ' HG11 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -97.72 19.99 12.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.246 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.5 tp -40.41 133.32 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.68 -39.94 21.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 175.85 -178.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.318 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.476 ' CD2' ' OE2' ' A' ' 71' ' ' GLU . 0.8 OUTLIER -131.68 133.04 44.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 5.7 p -112.2 148.03 34.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.476 ' OE2' ' CD2' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -110.01 147.88 32.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.59 139.7 51.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -90.12 138.53 31.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.27 -63.36 1.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.2 m -141.74 -63.64 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.435 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.97 81.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.332 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 43.73 73.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -126.65 -60.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 26.7 p -106.81 163.45 12.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 108.32 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.437 ' CB ' ' HA3' ' A' ' 101' ' ' GLY . . . -120.17 113.38 20.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -136.12 116.57 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.493 ' CB ' ' O ' ' A' ' 70' ' ' THR . 2.9 p90 -139.6 156.61 46.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 25.1 m -104.58 135.47 45.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.432 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.516 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -89.26 96.49 10.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.5 t -75.89 123.84 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 mt -126.28 157.74 69.1 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.84 8.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.766 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -113.27 -56.28 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.442 ' OE1' ' NH2' ' A' ' 28' ' ' ARG . 8.7 tt0 -159.0 154.12 25.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 12.0 mt-10 -91.69 146.14 24.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.346 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 75.7 t -132.64 149.0 31.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -103.17 142.27 34.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.433 HD12 ' CD2' ' A' ' 84' ' ' LEU . 2.9 mp -125.73 161.95 26.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.572 ' HE2' ' CE2' ' A' ' 34' ' ' TYR . 1.9 ttmm -154.21 137.6 15.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.3 p -126.87 -42.73 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.403 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.47 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 2.6 mm-40 65.18 49.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 174.23 117.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 m -44.98 -54.54 6.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.415 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -48.7 -73.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.3 m -42.06 -50.11 4.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.437 ' HA3' ' CB ' ' A' ' 80' ' ' ALA . . . -54.6 -69.95 1.1 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -39.8 -43.01 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.35 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.58 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 4.7 mt-10 -54.48 -69.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.453 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 87.4 m95 -51.22 -62.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 108.021 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -38.07 -48.29 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -69.09 -60.88 4.91 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.12 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.418 ' CE1' ' HB3' ' A' ' 129' ' ' LYS . 6.2 m-85 -46.74 -42.88 17.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 111' ' ' VAL . 1.6 mp -65.36 -61.21 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 47.8 mt -44.66 -26.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.247 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.465 ' CG2' ' O ' ' A' ' 130' ' ' LEU . 97.1 m -80.51 -40.82 25.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.379 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 108' ' ' ILE . 32.8 m -91.61 28.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 108' ' ' ILE . 21.4 p -144.8 -46.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -85.47 -9.95 56.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.401 ' CD1' ' HG3' ' A' ' 141' ' ' ARG . 1.0 OUTLIER 63.56 22.14 13.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.4 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . 0.7 OUTLIER -141.94 -160.89 1.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.99 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 48.5 t -133.92 123.14 16.86 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 119.59 5.72 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -90.42 25.66 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -123.79 38.83 4.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 4.3 m -111.03 138.43 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.95 -5.58 59.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.414 HD22 ' CG ' ' A' ' 103' ' ' GLU . 1.9 tp -50.45 161.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.617 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.2 mm? -64.97 169.3 5.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.617 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.2 Cg_endo -75.03 -7.93 19.58 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.456 ' HA2' ' CD1' ' A' ' 128' ' ' ILE . . . -97.04 -34.22 5.74 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 110.945 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -74.78 -36.92 62.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 0.733 . . . . 0.0 110.28 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.93 -30.22 37.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.456 ' CD1' ' HA2' ' A' ' 125' ' ' GLY . 38.4 mt -54.99 -48.41 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.418 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 6.8 mmmm -43.94 -53.0 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.465 ' O ' ' CG2' ' A' ' 110' ' ' THR . 13.4 mt -49.81 -42.99 48.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -65.0 -51.65 60.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.583 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -61.05 -59.91 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.258 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 55.7 t -42.32 -46.17 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.4 ' CD2' ' HA ' ' A' ' 115' ' ' SER . 3.6 tp -52.81 -68.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.08 -36.74 13.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -59.62 -50.69 72.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 3.3 pt-20 -73.23 -27.86 61.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 141' ' ' ARG . 16.1 mttm -50.62 -50.66 53.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -48.89 -38.29 22.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -70.31 -27.88 64.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.348 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 138' ' ' LYS . 26.4 mmm180 -63.54 -16.11 59.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 33.8 mt -63.88 -77.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -52.51 -75.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.89 110.75 9.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -81.24 -163.93 31.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.43 9.93 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.476 1.777 . . . . 0.0 111.004 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.75 -58.73 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.148 . . . . 0.0 109.983 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.25 97.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.965 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.569 1.168 . . . . 0.0 110.992 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -176.33 151.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.968 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 p -125.96 -61.29 1.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.153 . . . . 0.0 110.013 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.36 168.81 22.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 m 63.29 117.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 0.762 . . . . 0.0 110.036 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.0 p -98.32 -11.61 22.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.009 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.73 142.1 3.46 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.441 ' C ' ' CG ' ' A' ' 9' ' ' GLU . 20.5 mt-30 -146.58 83.8 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' CG ' ' C ' ' A' ' 8' ' ' GLN . 2.0 pt-20 41.02 78.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -102.19 101.86 12.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.86 154.77 47.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -100.63 139.87 35.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 mp -121.68 128.03 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 t -128.95 -44.11 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.397 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' PRO . . . -47.6 -67.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.424 ' CD2' ' HB3' ' A' ' 42' ' ' ARG . 1.2 tp -38.9 99.45 0.19 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 120.12 5.94 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.505 ' CD2' ' OE1' ' A' ' 21' ' ' GLU . 16.3 tp -57.2 143.23 39.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -123.72 -42.05 2.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.574 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 4.1 t80 -159.41 153.35 23.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.505 ' OE1' ' CD2' ' A' ' 18' ' ' LEU . 15.2 pm0 -157.14 143.84 18.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.44 142.92 3.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -41.65 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.746 . . . . 0.0 110.982 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.5 tp -109.77 150.01 28.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.433 HD21 ' CG ' ' A' ' 36' ' ' HIS . 12.7 mt -102.44 127.97 49.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.9 mm -116.12 126.98 73.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -126.27 112.07 15.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -128.89 -177.62 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 m -71.57 73.93 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.041 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 148.14 44.87 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 111.036 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.444 ' O ' ' CB ' ' A' ' 32' ' ' ARG . 5.8 m-85 -135.21 -44.55 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 80.32 -51.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -136.58 140.06 42.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.573 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 56.4 m-85 -49.78 126.19 13.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 111.053 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.478 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 46.4 mm-40 -104.13 144.68 31.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.433 ' CG ' HD21 ' A' ' 25' ' ' LEU . 48.6 m80 -91.17 111.5 23.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.478 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 34.4 m-85 -131.41 136.85 48.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.426 ' N ' ' O ' ' A' ' 49' ' ' TYR . 73.5 t-105 -65.68 95.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 107.982 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.447 HG22 ' CH2' ' A' ' 104' ' ' TRP . 16.1 m -88.7 142.02 28.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -132.28 127.65 36.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.01 125.8 35.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.424 ' HB3' ' CD2' ' A' ' 16' ' ' LEU . 24.3 mtt180 -146.12 127.65 15.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.02 -92.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 42' ' ' ARG . 7.3 p -151.48 32.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 0.737 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.494 HG23 ' CZ ' ' A' ' 47' ' ' PHE . 5.9 m -136.45 114.95 11.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.354 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 30.3 mt -74.7 129.89 38.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.494 ' CZ ' HG23 ' A' ' 45' ' ' THR . 70.9 m-85 -117.95 121.39 40.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 59' ' ' ASP . 14.4 m-85 -101.75 137.5 39.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 57' ' ' TYR . 70.3 m-85 -134.02 131.2 38.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.4 p -61.3 -29.79 70.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.387 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -164.13 158.74 19.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -62.88 -37.46 87.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -55.24 -45.46 76.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.66 138.24 23.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.969 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.1 mm -91.72 -47.1 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.0 mt -85.7 149.55 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 55.2 p90 -87.58 126.79 35.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' A' ' 59' ' ' ASP . 9.9 p -45.43 -49.21 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.416 ' N ' ' CG1' ' A' ' 58' ' ' VAL . 2.7 m-20 -162.79 151.78 14.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.7 pttt -122.78 158.52 30.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.6 mt -131.24 167.83 18.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -134.18 132.99 40.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.4 pt -133.55 30.97 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.4 -41.81 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.29 17.68 6.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.9 tp -44.74 134.35 5.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -85.03 -35.04 22.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 175.46 -178.1 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 108.319 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.03 126.26 35.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.1 p -99.73 166.58 11.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -128.29 127.74 43.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -86.43 131.05 34.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -46.7 -60.29 2.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.9 m 68.63 177.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.038 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.5 m -61.91 95.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.408 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 39.11 69.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.9 tttp 41.9 85.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -132.69 121.28 22.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 72.5 m 63.06 160.16 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 108.332 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.78 114.99 22.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -126.86 118.22 24.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -144.71 151.93 39.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 m -111.62 137.1 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.415 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 2.0 mm? -82.01 114.06 20.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 40.7 t -93.63 109.78 22.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 89' ' ' GLU . 5.1 mt -113.51 157.67 40.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 1.75 7.38 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.3 -61.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 86' ' ' LEU . 5.8 tt0 -150.55 153.18 35.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.351 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.403 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 1.5 mt-10 -96.56 144.47 26.6 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 78.6 t -127.51 146.79 32.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -100.58 124.73 46.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.328 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.5 135.17 53.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 4.0 ttpt -137.63 147.68 45.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.8 p -120.12 161.85 20.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -85.8 -46.65 10.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -102.53 170.68 7.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 65.5 m -84.24 -54.58 4.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.417 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -47.95 -63.9 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.6 m -43.41 -36.38 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.45 -52.68 43.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.47 -25.97 68.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.574 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 3.2 mt-10 -67.92 -68.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.487 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 78.9 m95 -44.57 -63.49 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 107.972 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 104' ' ' TRP . 4.4 ttp180 -37.61 -61.54 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -48.84 -68.92 1.12 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.556 ' CE1' HG23 ' A' ' 133' ' ' VAL . 14.8 m-85 -41.85 -47.52 4.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.54 ' O ' ' CG2' ' A' ' 112' ' ' THR . 1.8 mp -64.32 -51.79 63.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.432 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 20.0 mt -54.83 -17.7 3.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.3 m -88.58 -44.54 10.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.53 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 15.9 m -81.78 8.9 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.54 ' CG2' ' O ' ' A' ' 108' ' ' ILE . 67.6 p -122.39 -51.41 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -81.64 -10.73 59.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.424 HD13 ' NE ' ' A' ' 141' ' ' ARG . 0.2 OUTLIER 64.01 18.68 11.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.402 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . 0.4 OUTLIER -138.79 -154.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.408 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 42.3 t -135.93 127.89 17.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 116' ' ' VAL . 18.4 Cg_endo -75.0 117.62 4.98 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 111.068 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -91.67 22.87 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -127.53 49.97 2.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -118.3 160.41 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.08 -6.74 23.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.2 tp -50.97 159.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.628 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.3 mm? -65.27 169.58 5.68 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.628 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -74.98 -8.11 19.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.407 ' HA2' ' CD1' ' A' ' 128' ' ' ILE . . . -97.01 -33.34 6.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -74.44 -42.46 59.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 t -50.38 -34.18 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.407 ' CD1' ' HA2' ' A' ' 125' ' ' GLY . 32.4 mt -51.47 -47.22 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -47.55 -53.27 14.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.41 HD23 ' N ' ' A' ' 107' ' ' PHE . 23.6 mt -49.61 -31.48 10.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -79.43 -50.44 10.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.633 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.87 -40.77 94.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.556 HG23 ' CE1' ' A' ' 107' ' ' PHE . 44.4 t -61.1 -43.36 96.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' A' ' 115' ' ' SER . 5.6 tp -56.55 -65.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.456 ' O ' ' CD ' ' A' ' 139' ' ' LYS . 37.1 mt-10 -49.81 -30.89 10.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.3 mmt-85 -64.13 -62.89 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.44 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 1.2 pt-20 -63.39 -25.19 68.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.44 ' N ' ' HG2' ' A' ' 137' ' ' GLU . 11.3 mttm -51.46 -58.99 4.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.456 ' CD ' ' O ' ' A' ' 135' ' ' GLU . 0.0 OUTLIER -41.33 -52.97 3.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 14.1 ttp85 -39.78 -45.93 1.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.424 ' NE ' HD13 ' A' ' 114' ' ' LEU . 3.9 mtm180 -43.89 -40.57 4.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 139' ' ' LYS . 57.9 mt -45.89 -82.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -84.14 75.39 10.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 10.1 t -158.37 -61.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -131.3 159.09 23.0 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -58.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.531 1.806 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.85 149.45 29.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.32 151.2 32.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 m 65.51 135.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 0.731 . . . . 0.0 110.013 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p -171.01 165.92 7.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.7 163.26 32.88 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 p -155.07 141.4 18.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 0.774 . . . . 0.0 109.975 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -170.24 167.72 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.997 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.6 -149.78 5.11 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -87.98 109.88 20.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 0.748 . . . . 0.0 110.286 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.14 152.91 36.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -108.09 116.74 32.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.239 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -76.61 -59.5 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 pttm 46.79 -164.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mp -134.88 127.14 48.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -156.11 -54.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.402 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . -119.7 175.95 5.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' ALA . 1.1 tp -40.3 103.55 0.3 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 131.92 14.87 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.478 1.778 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.5 tp -71.91 139.67 48.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.248 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -115.72 -37.36 3.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.57 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 4.7 t80 -161.03 150.25 16.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 2.4 pt-20 -151.88 135.12 15.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . 178.67 133.31 1.89 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -38.0 96.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.444 ' CD1' HG23 ' A' ' 95' ' ' THR . 14.1 tp -98.24 153.17 18.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.485 HD23 ' CG ' ' A' ' 36' ' ' HIS . 12.1 mt -107.24 125.79 51.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.418 HG13 ' CE1' ' A' ' 48' ' ' PHE . 14.1 mm -113.19 133.44 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.57 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -130.84 54.89 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.588 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -46.92 173.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.09 103.44 2.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.12 23.01 5.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.118 . . . . 0.0 111.049 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.588 ' CE1' ' HB2' ' A' ' 28' ' ' ARG . 1.7 m-85 -98.85 106.52 18.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 0.777 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -38.18 -31.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.273 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 31' ' ' TYR . 4.9 pt-20 -179.17 153.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 52.9 m-85 -42.98 125.49 3.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -102.41 145.17 29.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.485 ' CG ' HD23 ' A' ' 25' ' ' LEU . 6.6 m80 -95.18 118.25 31.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.632 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -144.18 135.99 26.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.549 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 61.4 t-105 -60.4 92.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 108.047 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.7 m -81.59 133.67 35.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -123.56 122.96 39.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 107' ' ' PHE . 0.1 OUTLIER -91.17 123.35 34.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -148.39 126.98 12.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.16 -97.9 0.07 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.2 p -146.47 20.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 110.379 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.8 m -124.84 123.73 40.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.374 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.0 mt -79.84 132.58 36.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -120.28 124.47 45.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.418 ' CE1' HG13 ' A' ' 26' ' ' ILE . 28.6 m-85 -105.45 137.41 43.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.561 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 68.1 m-85 -134.56 127.33 31.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.7 p -60.43 -31.79 70.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.408 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 54' ' ' SER . 41.0 m-20 -162.61 143.97 10.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -44.54 -41.6 6.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -51.36 -42.4 61.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 51' ' ' ASP . 48.7 m -41.64 123.83 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -79.18 -42.47 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 pp -111.28 139.43 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.561 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 53.9 p90 -61.59 128.57 36.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 111.049 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.2 p -52.07 -40.67 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.23 152.78 15.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -129.61 159.86 35.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.0 mt -134.1 161.92 33.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -124.63 129.09 49.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 10.5 pt -128.81 23.62 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 65' ' ' ASP . 7.0 p -72.49 -34.24 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.404 ' N ' HG11 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -92.77 12.72 22.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 tp -43.58 129.34 5.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -85.38 -39.11 17.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.373 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -179.04 -179.16 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 108.301 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.47 HD21 ' CG ' ' A' ' 105' ' ' ARG . 0.7 OUTLIER -131.54 127.14 36.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.3 p -104.04 172.46 6.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.352 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -128.99 115.62 18.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -82.2 150.26 27.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 65.08 105.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 76.4 p -84.21 107.75 16.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.972 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.5 m 50.56 92.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.41 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 178.18 126.73 0.05 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.542 1.152 . . . . 0.0 110.351 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.96 138.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -82.07 97.62 8.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -178.09 178.75 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 108.247 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -130.39 124.88 33.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -134.38 122.26 22.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.451 ' CD2' ' HG3' ' A' ' 105' ' ' ARG . 1.7 p90 -137.05 157.24 47.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.1 m -116.84 114.72 24.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.553 ' CD1' ' N ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -66.17 101.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.378 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.7 t -76.0 118.6 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.6 mt -122.41 156.89 60.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.29 9.05 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -113.45 -58.27 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -156.74 149.15 23.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -87.44 133.83 33.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 92' ' ' GLN . 77.4 t -112.4 144.88 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.412 ' N ' HG13 ' A' ' 91' ' ' VAL . 58.3 mt-30 -104.6 138.87 40.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.9 mp -128.89 154.85 46.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.517 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -153.8 147.68 25.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.444 HG23 ' CD1' ' A' ' 24' ' ' LEU . 19.8 p -129.1 152.35 48.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.452 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -52.64 -57.43 10.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.272 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -119.32 168.7 10.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.1 t -61.53 -41.18 96.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.375 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -43.44 -64.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.05 -48.09 8.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.013 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -47.89 -70.83 0.66 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -45.9 -30.6 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 110.35 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.57 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 1.9 mt-10 -68.01 -68.37 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.431 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 86.3 m95 -52.79 -58.29 7.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 108.047 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.47 ' CG ' HD21 ' A' ' 69' ' ' LEU . 5.5 ttp180 -42.12 -35.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.252 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.01 -67.08 1.89 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.56 ' CE2' HG22 ' A' ' 133' ' ' VAL . 22.5 m-85 -44.79 -41.75 7.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.97 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.478 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 1.8 mp -67.57 -63.99 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.468 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 27.9 mt -42.07 -25.27 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 114' ' ' LEU . 84.7 m -79.78 -62.73 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 15.5 m -58.33 -14.95 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.468 ' OG1' ' HA ' ' A' ' 109' ' ' LEU . 25.4 p -95.34 -53.87 3.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.356 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 114' ' ' LEU . 13.6 mt-10 -84.06 10.48 9.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 110' ' ' THR . 0.2 OUTLIER 39.32 33.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.471 ' O ' ' CG2' ' A' ' 110' ' ' THR . 0.3 OUTLIER -149.88 -162.89 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 48.7 t -126.71 122.1 23.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 122.85 7.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.804 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -92.02 25.78 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -124.96 42.76 3.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.1 m -116.42 151.2 18.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.32 -8.98 26.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.47 HD21 ' CG ' ' A' ' 103' ' ' GLU . 1.6 tp -43.44 161.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.621 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.1 mm? -65.67 169.27 6.7 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.621 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.98 -8.01 19.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.65 -33.96 5.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -74.08 -43.68 56.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.02 -34.17 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 37.8 mt -51.01 -47.92 30.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -45.81 -58.28 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.421 HD21 ' N ' ' A' ' 107' ' ' PHE . 45.1 mt -44.16 -40.44 5.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -67.16 -55.37 14.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.58 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -58.32 -52.88 63.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.56 HG22 ' CE2' ' A' ' 107' ' ' PHE . 46.2 t -50.69 -40.84 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.475 ' CD1' HD13 ' A' ' 114' ' ' LEU . 3.0 tp -59.11 -64.52 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -52.34 -27.08 14.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 2.4 mmt85 -64.77 -59.65 3.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.426 ' CD ' HD11 ' A' ' 114' ' ' LEU . 8.1 pt-20 -66.36 -38.52 87.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.475 ' CE ' HD13 ' A' ' 134' ' ' LEU . 7.1 mttm -39.45 -47.75 1.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 142' ' ' ILE . 65.0 mmtt -51.22 -52.89 40.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 137' ' ' GLU . 0.3 OUTLIER -39.24 -44.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.466 ' CZ ' HD21 ' A' ' 114' ' ' LEU . 3.2 mtm180 -45.13 -45.25 11.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 139' ' ' LYS . 8.6 mt -41.6 -78.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -87.95 70.54 9.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 22.5 m -62.09 154.81 25.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -122.2 -155.43 9.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.488 1.117 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 130.95 13.85 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 56.9 p -170.7 101.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.8 t -93.15 -58.76 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.08 85.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 0.797 . . . . 0.0 110.029 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 m -153.56 165.99 34.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.9 175.24 35.91 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.08 167.57 12.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 0.765 . . . . 0.0 109.981 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 t -95.52 -59.25 1.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.23 87.82 0.55 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -178.21 74.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 110.303 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -117.05 95.28 4.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 0.0 110.348 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.21 84.99 4.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.45 159.42 29.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -87.02 147.6 25.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mp -41.51 -60.25 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -157.61 -52.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.454 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -168.62 126.91 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.424 HD11 ' NE ' ' A' ' 42' ' ' ARG . 48.2 tp -112.43 108.2 54.68 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.99 32.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.808 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.3 tp -98.42 150.07 22.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.642 ' CE2' ' HA2' ' A' ' 43' ' ' GLY . 18.9 m-30 -115.18 -70.06 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -120.17 171.47 8.46 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.466 ' CB ' ' HG2' ' A' ' 40' ' ' GLU . 3.4 pt-20 -173.2 112.83 0.22 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.259 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.49 166.54 38.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.575 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 2.3 m-85 -73.11 108.6 6.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.437 HD23 ' CD2' ' A' ' 93' ' ' LEU . 18.4 tp -113.32 156.01 24.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.2 mt -103.89 121.95 44.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.5 mm -111.17 126.18 68.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 3.6 tttt -123.19 72.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -70.95 174.0 6.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.37 78.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.27 50.69 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.504 ' O ' ' CB ' ' A' ' 32' ' ' ARG . 2.0 m-85 -133.61 -46.72 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER 84.17 -48.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -133.63 134.5 43.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.566 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 47.5 m-85 -49.29 133.29 19.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.445 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 76.2 mm-40 -111.0 140.28 45.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.325 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 23' ' ' PHE . 1.9 t-80 -83.84 119.57 25.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.577 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 34.6 m-85 -142.41 135.3 28.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.554 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 59.1 t-105 -65.87 90.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.035 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.553 HG22 ' CH2' ' A' ' 104' ' ' TRP . 52.4 m -82.69 147.69 28.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.466 ' HG2' ' CB ' ' A' ' 21' ' ' GLU . 14.3 mt-10 -135.8 121.23 19.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -97.73 114.7 26.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.455 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -132.64 138.99 47.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.642 ' HA2' ' CE2' ' A' ' 19' ' ' TYR . . . 43.25 -94.68 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 42' ' ' ARG . 2.3 p -141.72 21.68 2.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 0.752 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.437 ' HB ' ' NH1' ' A' ' 42' ' ' ARG . 25.6 m -120.65 131.61 54.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.403 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.478 ' CD2' ' HG ' ' A' ' 41' ' ' LEU . 74.4 mt -98.78 126.61 44.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -112.75 150.44 31.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.445 ' O ' ' CG1' ' A' ' 58' ' ' VAL . 12.1 m-85 -132.2 118.22 19.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 57' ' ' TYR . 90.3 m-85 -118.53 167.7 11.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.3 p -104.31 -28.03 11.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -161.66 148.41 14.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.247 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -48.32 -39.32 21.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -56.08 -49.69 73.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.5 m -41.93 123.94 2.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.6 mm -87.72 -47.01 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.162 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.3 mm -94.34 125.47 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.527 ' CZ ' ' HD3' ' A' ' 60' ' ' LYS . 36.6 p90 -65.16 136.36 56.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.445 ' CG1' ' O ' ' A' ' 48' ' ' PHE . 7.5 p -50.77 -33.68 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' N ' HG12 ' A' ' 58' ' ' VAL . 0.6 OUTLIER -178.04 156.19 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.527 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 4.9 pttt -130.84 155.98 45.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.0 mt -128.57 176.54 7.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.78 135.52 38.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.9 pt -132.68 29.58 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.4 -30.97 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.43 13.34 30.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 tp -40.57 132.57 2.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.81 -30.4 20.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 171.74 -177.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 108.328 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -134.19 126.64 30.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.1 p -101.85 175.76 5.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -129.52 114.01 15.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.73 108.34 19.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 179.6 169.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -150.84 113.28 4.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.975 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.0 m 62.75 -80.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 74' ' ' SER . 3.0 mt-10 -64.27 151.82 42.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.76 104.25 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -124.15 107.7 11.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 80.7 m 60.86 156.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 108.309 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.75 115.34 23.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -119.92 122.78 42.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -147.79 150.57 34.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.3 m -113.22 124.12 51.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.435 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.8 mm? -72.29 103.86 3.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.2 t -78.91 122.0 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 1.7 mt -123.52 157.91 60.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.01 9.44 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -114.54 -58.46 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.461 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 4.3 tt0 -156.99 148.29 22.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -87.03 156.15 19.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 69.6 t -135.48 144.46 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -103.72 137.92 41.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 110.328 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.437 ' CD2' HD23 ' A' ' 24' ' ' LEU . 8.1 mp -127.91 157.26 41.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 6.1 tttt -154.2 148.51 26.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.1 p -126.05 167.69 14.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.391 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.12 -65.37 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -97.92 153.8 18.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 88.2 m -56.53 -47.44 79.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.461 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.414 ' C ' ' N ' ' A' ' 101' ' ' GLY . 1.1 mm-40 -45.78 -68.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.54 -29.8 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.966 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 99' ' ' GLU . . . -64.13 -61.78 5.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -52.4 -35.46 51.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.47 -67.97 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 41' ' ' LEU . 62.5 m95 -50.01 -65.41 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -37.99 -61.3 0.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 110.26 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -55.06 -55.66 27.01 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.445 ' CE1' ' HB3' ' A' ' 129' ' ' LYS . 3.4 m-85 -49.47 -43.34 44.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.468 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 1.8 mp -66.98 -56.08 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.9 mt -48.05 -23.8 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.414 ' CG2' ' HB2' ' A' ' 134' ' ' LEU . 57.1 m -82.54 -39.66 22.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 34.1 m -92.48 27.44 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 40.0 p -142.92 -45.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.437 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.47 -15.83 44.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.441 HD12 ' CD ' ' A' ' 141' ' ' ARG . 1.3 mm? 70.73 23.11 4.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.438 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -145.45 -158.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.002 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 48.8 t -130.91 123.43 20.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 120.61 6.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.87 -4.29 58.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -98.69 62.03 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.6 m -132.26 140.41 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.4 -6.55 57.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.485 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.1 OUTLIER -51.1 177.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.573 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -103.28 -175.47 0.39 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.5 Cg_endo -75.02 -11.0 21.43 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.783 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -90.54 -35.45 7.37 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.485 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 1.8 mt-30 -75.96 -49.62 17.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.6 t -44.36 -36.56 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 58.0 mt -49.41 -50.68 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.445 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 6.7 mmmm -48.45 -53.54 17.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 15.8 mt -51.46 -41.48 60.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -65.79 -52.83 47.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.569 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -60.57 -58.62 7.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.536 HG12 ' CE2' ' A' ' 19' ' ' TYR . 55.8 t -45.48 -43.26 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.456 ' CD1' ' HG3' ' A' ' 138' ' ' LYS . 3.4 tp -58.12 -69.49 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -46.61 -31.22 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.3 mmt-85 -63.83 -48.91 74.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 5.0 pt-20 -74.86 -30.56 61.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.456 ' HG3' ' CD1' ' A' ' 134' ' ' LEU . 25.5 mttt -50.1 -42.3 50.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -61.69 -64.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -46.63 -46.59 19.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.441 ' CD ' HD12 ' A' ' 114' ' ' LEU . 5.6 mmp_? -42.41 -35.4 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 95.9 mt -45.9 -82.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -86.75 62.69 7.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.6 t -169.11 138.89 2.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 116.62 162.79 13.02 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.108 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.26 24.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.484 1.781 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.57 154.75 25.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 99.7 p -54.25 -28.95 44.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.973 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 m -141.72 143.3 33.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.021 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -145.27 119.27 9.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.25 103.68 0.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -133.23 130.38 38.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 110.028 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.05 96.09 6.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.56 97.34 2.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 54.28 103.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 0.745 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.76 137.66 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.73 -55.68 3.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 59.02 157.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -151.14 113.61 4.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mp -42.21 -68.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.2 m -151.43 142.73 23.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.412 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.68 -56.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 2.7 mt 63.52 129.89 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.424 ' CG ' ' HD2' ' A' ' 136' ' ' ARG . 18.4 Cg_endo -75.0 120.24 5.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.477 1.777 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.453 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 2.2 tm? -57.12 134.71 56.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 136' ' ' ARG . 20.5 m-30 -110.9 -28.62 8.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 6.8 t80 -170.86 140.76 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.528 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 3.6 pt-20 -129.18 139.83 51.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.58 154.08 8.96 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -71.12 108.72 4.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 110.954 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.1 tp -105.14 153.55 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.453 HD21 ' CG ' ' A' ' 36' ' ' HIS . 12.7 mt -106.77 116.64 32.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 mm -108.8 128.95 64.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.562 ' HE2' ' CE2' ' A' ' 34' ' ' TYR . 2.1 ttpp -122.26 4.28 9.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.47 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 36.08 -155.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.347 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.64 -20.55 22.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.59 -102.25 2.63 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.47 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 2.8 m-85 52.45 171.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 111.035 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.51 -23.1 10.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -178.38 146.77 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.562 ' CE2' ' HE2' ' A' ' 27' ' ' LYS . 60.7 m-85 -49.91 122.76 7.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.457 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 8.6 mm-40 -109.95 151.25 27.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.453 ' CG ' HD21 ' A' ' 25' ' ' LEU . 67.2 m80 -92.85 121.63 34.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 45.0 m-85 -141.43 137.56 32.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.528 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 72.9 t-105 -63.78 84.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.041 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 37' ' ' TYR . 52.6 m -81.7 135.85 35.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.453 ' OE1' ' CD2' ' A' ' 18' ' ' LEU . 4.7 mm-40 -125.09 136.99 54.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 107' ' ' PHE . 0.7 OUTLIER -94.94 117.11 29.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -135.27 126.91 28.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.33 -96.43 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -142.24 16.76 2.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.2 m -120.27 123.83 44.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.2 mt -80.38 113.07 18.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -101.26 119.46 38.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -102.27 139.76 37.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.428 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 75.9 m-85 -132.66 155.07 49.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.421 ' CG2' ' HB ' ' A' ' 58' ' ' VAL . 76.0 p -93.29 -28.57 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -160.07 152.97 21.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -38.68 78.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -56.49 -40.89 75.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.93 139.26 41.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.976 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.7 mt -106.29 -43.38 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.8 mt -87.9 105.2 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.486 ' CZ ' ' HD3' ' A' ' 60' ' ' LYS . 55.8 p90 -44.46 129.98 6.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 59' ' ' ASP . 6.2 p -52.11 -47.81 42.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.421 ' N ' ' CG1' ' A' ' 58' ' ' VAL . 0.4 OUTLIER -156.35 160.59 39.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.486 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 9.2 pttt -141.39 162.01 36.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.5 mt -135.84 176.16 8.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -136.31 131.77 34.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.7 pt -134.37 21.36 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.8 p -69.02 -32.15 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.45 16.71 22.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.424 HD11 ' CD1' ' A' ' 84' ' ' LEU . 2.4 tp -43.19 133.61 3.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -88.32 -30.76 19.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 110.355 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 170.61 -178.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.306 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tt -132.92 128.43 36.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.7 p -99.79 168.71 9.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.386 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -127.83 119.17 25.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -85.42 111.32 19.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -117.25 96.14 5.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.11 70.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.028 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.4 m -161.82 159.11 26.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.389 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.431 ' O ' ' CG ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -86.24 62.08 7.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.431 ' CG ' ' O ' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -172.86 175.6 3.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -124.19 47.84 2.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.6 m -93.89 174.45 7.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 108.312 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.83 119.94 38.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -135.36 115.83 13.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 93' ' ' LEU . 4.3 p90 -142.64 156.53 45.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 m -115.04 137.83 51.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.354 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.537 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 0.6 OUTLIER -86.2 111.94 20.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -84.86 125.16 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 mt -127.0 156.58 74.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.48 8.84 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.36 -57.34 2.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -158.13 151.32 23.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.21 142.57 27.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.8 t -124.44 139.44 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -91.36 138.05 31.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.453 HD11 ' CD2' ' A' ' 84' ' ' LEU . 0.6 OUTLIER -129.49 144.11 51.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.519 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -146.94 147.3 30.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 p -123.7 -177.41 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.434 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -80.86 -48.2 12.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -146.05 166.93 24.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.1 m -51.6 -43.29 62.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -46.93 -63.85 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.51 -40.47 71.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.06 -66.38 2.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -39.16 -42.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 0.795 . . . . 0.0 110.336 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.573 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 2.6 mt-10 -55.56 -70.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.4 ' CD1' ' HE2' ' A' ' 20' ' ' PHE . 84.0 m95 -49.63 -61.79 1.92 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 107.961 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -39.91 -45.17 1.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.06 -53.59 10.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.617 ' CE1' ' HB3' ' A' ' 129' ' ' LYS . 7.2 m-85 -53.79 -42.44 68.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.463 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 1.7 mp -65.26 -59.73 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 45.9 mt -45.49 -26.11 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.421 ' CG2' ' HB2' ' A' ' 134' ' ' LEU . 96.4 m -80.68 -40.94 24.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 110.409 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 31.2 m -91.15 28.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 23.8 p -144.16 -45.42 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.47 -19.31 31.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 73.33 21.27 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.44 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -148.2 -179.76 7.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 57.8 t -108.02 125.05 32.96 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.39 18.92 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -95.69 -5.74 41.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -97.27 60.97 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 1.2 m -133.21 157.17 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.87 0.01 27.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.465 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.3 OUTLIER -52.08 -176.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.558 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -108.96 -176.33 0.4 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.558 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.02 -20.23 17.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -87.16 -24.27 37.86 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.465 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 5.0 mm100 -90.82 -36.65 14.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 18.0 t -57.28 -42.35 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 25.1 mt -41.48 -49.81 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.617 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -45.62 -58.33 3.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.3 mt -47.97 -40.06 21.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -68.15 -55.97 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.594 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -57.67 -56.87 16.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 69.4 t -48.23 -48.45 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.44 ' CD2' ' HA ' ' A' ' 115' ' ' SER . 4.1 tp -52.0 -68.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -50.15 -33.8 20.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.284 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.44 ' HB3' ' CE1' ' A' ' 19' ' ' TYR . 8.8 mmt180 -63.49 -55.18 26.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 141' ' ' ARG . 3.4 pt-20 -69.34 -25.91 64.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 141' ' ' ARG . 10.1 mttm -51.3 -57.15 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 28.7 mmtm -43.37 -55.48 4.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 9.7 mtt-85 -67.85 -24.51 65.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.487 ' HG3' ' N ' ' A' ' 142' ' ' ILE . 0.0 OUTLIER -70.32 -24.34 62.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.487 ' N ' ' HG3' ' A' ' 141' ' ' ARG . 12.5 mt -63.19 -80.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -45.1 -64.23 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.13 118.79 37.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 165.76 179.52 39.43 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 178.67 6.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.523 1.802 . . . . 0.0 110.964 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.81 -59.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 19.1 t -155.28 128.61 8.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.973 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -164.84 160.76 19.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.75 . . . . 0.0 109.978 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -178.89 141.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.0 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.23 -133.43 7.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 t 61.79 138.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.14 104.86 12.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.982 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.72 -153.78 8.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.474 1.108 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -159.6 111.89 2.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.779 . . . . 0.0 110.355 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.72 141.04 28.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.26 72.45 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.348 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.0 mp -87.26 144.92 26.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.55 123.56 6.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -73.95 -42.93 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 t -139.76 129.72 24.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.416 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -111.89 -68.57 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.67 151.63 53.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HB3' ' NH1' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -75.0 118.16 5.17 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.487 1.783 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.435 ' CD2' ' OE1' ' A' ' 21' ' ' GLU . 3.0 tp -72.82 138.94 46.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.424 ' CD2' HG13 ' A' ' 133' ' ' VAL . 19.5 m-85 -119.47 -35.49 3.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -163.25 170.92 16.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.032 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.435 ' OE1' ' CD2' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -164.44 150.54 10.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.61 139.59 2.69 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -46.71 106.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 0.796 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.457 HD21 ' CD2' ' A' ' 93' ' ' LEU . 14.8 tp -106.91 152.34 24.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.53 HD21 ' CD2' ' A' ' 36' ' ' HIS . 10.1 mt -106.03 134.9 48.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.167 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.2 mm -115.21 137.88 47.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.601 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -149.51 56.12 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -36.89 -56.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.87 -52.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.7 74.56 2.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.589 ' CE1' ' HG2' ' A' ' 35' ' ' GLU . 42.2 m-85 -150.59 -73.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.79 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' A' ' 31' ' ' TYR . 1.1 tmm_? 82.5 -47.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.553 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 3.3 tt0 -98.66 -2.71 37.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 110.339 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.601 ' CD2' ' HB2' ' A' ' 27' ' ' LYS . 14.6 m-85 58.79 149.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.589 ' HG2' ' CE1' ' A' ' 31' ' ' TYR . 2.7 pt-20 -97.78 148.45 23.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.34 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.53 ' CD2' HD21 ' A' ' 25' ' ' LEU . 27.0 m80 -103.88 101.14 10.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.621 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' A' ' 35' ' ' GLU . 42.2 m-85 -132.6 140.06 48.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -67.43 95.74 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 108.016 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.546 HG22 ' CH2' ' A' ' 104' ' ' TRP . 5.7 m -83.81 139.3 32.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -128.41 129.42 46.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.437 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.1 OUTLIER -90.89 119.05 30.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -138.56 126.69 22.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.42 -100.32 0.06 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.496 ' HB ' ' CG1' ' A' ' 64' ' ' VAL . 3.0 p -138.33 11.07 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.432 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.6 m -118.83 126.66 52.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 110.433 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.4 mt -82.82 135.92 34.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.231 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.418 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 88.1 m-85 -123.45 129.32 51.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -116.75 130.77 56.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' A' ' 57' ' ' TYR . 59.1 m-85 -124.17 161.63 25.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.9 p -81.94 -20.18 39.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.374 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -165.11 173.28 11.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -72.25 -28.64 63.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -72.54 -29.68 63.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.75 138.59 14.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.2 mt -107.42 -48.88 8.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mt -92.72 99.48 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.522 ' HA ' ' CD2' ' A' ' 49' ' ' TYR . 53.7 p90 -40.29 130.04 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 59' ' ' ASP . 12.7 p -58.45 -31.36 43.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.422 ' N ' HG12 ' A' ' 58' ' ' VAL . 9.4 m-20 -168.48 145.89 4.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.9 pttt -125.81 163.51 22.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.5 166.32 22.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.79 130.5 36.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 9.1 pt -131.44 14.91 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.496 ' CG1' ' HB ' ' A' ' 44' ' ' THR . 3.1 m -62.26 -24.56 35.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.432 ' N ' HG21 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -108.1 13.87 25.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 65' ' ' ASP . 2.7 tp -39.36 132.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -86.74 -32.87 20.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 171.56 -179.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 108.289 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.406 HD23 ' CD ' ' A' ' 105' ' ' ARG . 0.6 OUTLIER -133.02 127.31 33.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.3 p -100.74 171.42 7.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -128.28 120.54 27.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -100.07 109.14 21.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 176.03 140.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.2 t -135.46 81.95 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.951 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.0 m 50.93 70.28 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 77' ' ' LYS . 4.4 pt-20 -175.31 52.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -38.78 145.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -169.08 -50.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.241 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 30.7 p -165.57 170.57 14.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 108.283 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.408 ' CB ' ' HA3' ' A' ' 101' ' ' GLY . . . -82.64 119.93 24.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.58 117.41 19.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.564 ' CE2' ' HG2' ' A' ' 105' ' ' ARG . 2.7 p90 -145.83 158.03 43.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 111.052 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.8 m -112.99 128.4 56.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.435 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 84' ' ' LEU . 2.3 mm? -76.37 102.61 6.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.3 t -79.0 119.77 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 mt -125.83 157.14 69.99 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.67 8.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 111.055 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.54 -56.88 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -157.83 151.56 23.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -94.46 131.25 40.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.0 t -119.45 139.49 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -94.09 154.6 17.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.457 ' CD2' HD21 ' A' ' 24' ' ' LEU . 4.5 mp -141.57 139.1 33.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.88 141.71 42.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 41.6 p -116.44 162.96 16.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.374 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -78.55 -65.18 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.62 150.98 20.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.9 m -60.79 -41.37 95.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 100' ' ' SER . 43.4 tt0 -55.76 -60.53 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -38.37 -43.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.408 ' HA3' ' CB ' ' A' ' 80' ' ' ALA . . . -50.91 -64.66 3.59 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.31 -43.43 7.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.615 ' OE1' ' CD2' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -52.86 -69.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.546 ' CH2' HG22 ' A' ' 39' ' ' THR . 94.5 m95 -49.16 -61.83 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 107.972 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.564 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -37.41 -58.22 0.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.33 -59.12 10.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.615 ' CD2' ' OE1' ' A' ' 103' ' ' GLU . 0.4 OUTLIER -47.19 -45.12 22.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.763 . . . . 0.0 110.97 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.474 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 1.5 mp -64.78 -60.04 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 35.7 mt -45.57 -26.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.406 ' N ' ' C ' ' A' ' 108' ' ' ILE . 62.4 m -81.34 -39.81 24.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.439 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.474 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 24.9 m -92.27 28.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 108' ' ' ILE . 24.4 p -144.35 -46.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -84.79 -13.15 52.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.473 HD23 ' CZ ' ' A' ' 141' ' ' ARG . 1.7 mm? 68.35 24.45 7.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.438 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -144.03 -156.73 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.995 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 44.3 t -138.12 124.17 12.81 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 119.12 5.52 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -89.06 16.35 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -116.38 47.37 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 5.1 m -120.84 140.98 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.08 -8.12 59.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.8 tp -42.93 159.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.64 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.2 mm? -66.43 170.48 5.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.64 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -75.0 -8.71 20.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.79 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.15 -33.79 6.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 129' ' ' LYS . 4.1 mt-30 -73.16 -50.59 21.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 0.745 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 126' ' ' GLN . 2.1 t -40.55 -40.61 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 131' ' ' HIS . 33.9 mt -50.67 -49.82 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 126' ' ' GLN . 6.6 mmmm -41.9 -56.49 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.3 mt -48.12 -42.96 30.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 128' ' ' ILE . 3.2 m-70 -63.27 -52.55 61.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.571 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -61.41 -60.16 4.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.424 HG13 ' CD2' ' A' ' 19' ' ' TYR . 48.1 t -42.38 -40.9 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.438 ' CD2' ' HA ' ' A' ' 115' ' ' SER . 3.4 tp -60.38 -72.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -43.88 -26.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.42 ' N ' ' C ' ' A' ' 134' ' ' LEU . 0.3 OUTLIER -68.62 -45.38 72.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.264 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 1.6 pt-20 -78.48 -30.34 47.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 26.4 mttm -50.23 -41.68 50.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -58.87 -61.9 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.81 -43.84 8.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.473 ' CZ ' HD23 ' A' ' 114' ' ' LEU . 15.6 mmt180 -50.54 -43.85 56.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 19.3 mt -43.62 -79.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -41.6 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.5 t -102.43 104.4 14.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 179.9 -164.61 32.56 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 76.39 3.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.459 1.768 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 41.8 m -84.28 167.83 16.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.02 84.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.475 1.11 . . . . 0.0 110.971 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 46.02 89.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 110.032 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -141.13 150.14 42.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.048 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.4 123.46 3.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 p -177.16 114.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.9 p -174.96 123.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.0 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.58 124.46 3.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.13 76.97 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 64.16 151.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -81.96 -54.72 5.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.1 mt 64.93 124.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -141.77 129.46 21.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -59.41 134.79 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.6 m -151.33 145.65 25.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 67.26 151.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.23 144.32 98.11 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 111.93 3.44 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 0.0 111.031 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.1 tp -59.66 144.72 47.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.452 ' O ' ' NZ ' ' A' ' 129' ' ' LYS . 18.7 m-85 -130.55 -55.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.544 ' CG ' ' CE2' ' A' ' 107' ' ' PHE . 10.6 t80 -138.07 160.23 39.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -152.33 138.64 18.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.25 132.58 1.69 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -44.64 98.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.746 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.0 tp -101.91 155.02 18.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 mt -105.93 127.5 53.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.8 mm -118.33 134.22 62.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 3.3 tttt -132.63 67.18 1.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.483 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 3.0 mtp180 -64.21 -175.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.57 -22.12 61.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.596 ' O ' ' CD1' ' A' ' 31' ' ' TYR . . . -119.38 84.49 0.37 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 30' ' ' GLY . 7.4 m-85 -159.93 -43.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.82 -51.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -134.63 128.35 32.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.573 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 37.4 m-85 -37.87 143.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.514 ' OE2' ' CD2' ' A' ' 31' ' ' TYR . 45.3 mt-10 -127.75 145.17 51.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.29 123.74 33.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.56 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -144.56 141.81 29.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' TYR . 66.8 t-105 -65.62 86.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.0 m -82.32 139.16 34.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.379 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -132.19 133.28 44.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.3 121.51 33.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 44' ' ' THR . 89.2 mtt180 -137.69 126.96 24.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.89 -92.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -145.2 17.47 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 0.738 . . . . 0.0 110.415 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.2 m -119.92 128.39 53.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.179 . . . . 0.0 110.369 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.6 mt -84.59 112.86 20.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -101.39 119.32 38.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.168 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -104.29 128.7 52.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.493 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 78.5 m-85 -122.62 167.22 13.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.9 p -104.07 -29.29 10.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -161.06 171.18 19.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -30.75 54.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -61.66 -32.53 72.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.53 145.88 21.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.6 mt -97.52 -42.03 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -108.06 165.49 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.51 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 35.9 p90 -88.2 129.88 35.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 59' ' ' ASP . 11.7 p -48.5 -31.81 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.413 ' N ' HG12 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -174.94 153.96 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -130.75 172.22 12.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.458 HD13 ' CG1' ' A' ' 91' ' ' VAL . 3.3 mt -132.97 -173.65 3.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -147.87 110.79 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.9 pt -125.21 24.65 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.4 m -67.63 -40.26 83.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.68 24.61 6.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.4 tp -42.52 132.58 3.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.03 -36.68 19.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 172.17 -179.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 108.351 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 tt -132.42 126.27 32.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.1 p -96.25 175.13 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -128.85 121.07 27.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -83.71 114.71 21.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -53.4 114.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.7 p -107.2 147.69 29.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.991 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.5 m -111.39 120.8 43.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.437 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.75 169.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.3 mptt 56.82 104.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.8 113.96 3.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 94.1 m -151.4 157.8 42.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.31 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.75 117.17 33.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.14 116.69 20.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.426 ' CE1' ' HB3' ' A' ' 93' ' ' LEU . 3.8 p90 -145.67 155.84 43.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.7 m -113.9 138.07 50.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.368 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.445 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.6 mm? -82.16 109.13 16.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 36.8 t -84.92 118.17 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 1.6 mt -123.61 157.16 63.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 0.45 8.91 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.519 1.799 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -114.62 -58.13 2.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.496 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 4.1 tt0 -158.14 149.93 21.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -90.5 155.3 19.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.458 ' CG1' HD13 ' A' ' 61' ' ' LEU . 53.6 t -139.11 138.08 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.415 ' N ' HG13 ' A' ' 91' ' ' VAL . 33.5 mt-30 -87.71 145.24 26.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.426 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 0.3 OUTLIER -140.17 134.16 30.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -136.49 147.15 47.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.5 p -119.55 177.49 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -75.42 -44.55 43.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -146.97 161.72 40.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.1 m -45.43 -47.98 13.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.91 -74.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.251 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.5 m -44.08 -42.86 6.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -52.44 -58.26 11.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.34 -41.45 38.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 0.779 . . . . 0.0 110.325 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.95 -68.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.479 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 90.5 m95 -53.54 -59.73 4.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 108.035 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' TRP . 10.3 ttp180 -37.59 -57.01 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.18 -46.46 79.63 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.549 ' CZ ' ' HG2' ' A' ' 129' ' ' LYS . 0.2 OUTLIER -54.7 -42.18 71.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 111.019 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 104' ' ' TRP . 2.4 mp -68.56 -56.57 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 50.9 mt -46.2 -26.03 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.414 ' N ' ' C ' ' A' ' 108' ' ' ILE . 54.7 m -80.16 -40.55 27.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.457 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 34.4 m -92.4 30.34 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 108' ' ' ILE . 24.0 p -146.2 -47.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.391 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -85.02 -11.18 55.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.508 ' CD1' ' NE ' ' A' ' 141' ' ' ARG . 2.7 mm? 64.15 25.21 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.364 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.454 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . 0.3 OUTLIER -142.98 -166.64 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 92.7 t -127.78 120.98 21.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 119.48 5.66 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.544 1.813 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -84.11 -15.26 47.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -90.23 61.44 5.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -129.04 151.58 35.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -12.61 60.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.477 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.1 OUTLIER -51.7 176.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.588 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -106.61 -174.19 0.31 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.588 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -75.02 -19.62 17.63 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -88.71 -18.65 54.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.467 1.104 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.477 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 0.7 OUTLIER -92.08 -36.5 13.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.753 . . . . 0.0 110.26 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.7 t -62.0 -27.09 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 49.9 mt -61.86 -40.95 88.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.549 ' HG2' ' CZ ' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -51.76 -60.05 3.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' A' ' 107' ' ' PHE . 68.6 mt -45.82 -55.26 6.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -43.11 -44.78 5.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.589 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -65.91 -55.33 17.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.467 ' CG2' ' HD2' ' A' ' 129' ' ' LYS . 97.3 t -51.19 -47.69 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.454 ' CD2' ' HA ' ' A' ' 115' ' ' SER . 3.6 tp -51.93 -68.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -48.03 -30.82 4.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -52.99 52.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.274 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -71.67 -25.43 62.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -52.7 -52.14 57.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.42 -50.6 16.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.86 -51.58 3.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.508 ' NE ' ' CD1' ' A' ' 114' ' ' LEU . 2.1 mtt180 -38.89 -36.01 0.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 95.5 mt -45.26 -80.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -90.63 72.49 6.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.326 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.75 -59.7 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 138.46 161.18 8.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 114.53 4.05 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.511 1.795 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.3 m -125.17 127.36 46.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 50.8 m -117.7 164.93 14.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.43 117.11 5.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 0.75 . . . . 0.0 110.022 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.6 t -71.75 169.3 15.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.11 -165.59 11.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.0 m -139.72 170.36 16.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 109.987 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 m -159.44 165.62 32.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.42 -160.12 3.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.118 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -169.29 92.62 0.26 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 0.753 . . . . 0.0 110.274 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -173.73 -46.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.3 100.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -77.1 -174.7 3.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.93 85.27 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -119.1 141.65 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.3 m -97.34 86.69 3.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.447 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.74 179.57 7.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.8 mm? -53.06 145.01 25.47 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 16' ' ' LEU . 18.4 Cg_endo -74.93 110.97 3.22 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.498 1.789 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 tp -64.58 137.56 57.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.514 ' CG ' HG11 ' A' ' 133' ' ' VAL . 25.0 m-85 -120.9 -36.97 3.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 55.8 t80 -160.94 151.56 18.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -139.09 161.21 37.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.45 131.07 1.2 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.524 1.14 . . . . 0.0 111.048 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -44.13 111.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.454 ' CD1' HG23 ' A' ' 95' ' ' THR . 28.0 tp -114.5 156.45 24.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.47 HD21 ' CG ' ' A' ' 36' ' ' HIS . 11.4 mt -104.71 128.21 52.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.517 HD11 ' CE1' ' A' ' 48' ' ' PHE . 12.0 mm -115.99 134.87 57.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.541 ' HE2' ' CD2' ' A' ' 34' ' ' TYR . 6.5 ttpt -132.73 114.37 14.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.425 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 6.5 mtp180 -130.89 -177.61 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.48 99.7 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.83 -48.87 0.95 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.152 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.452 ' O ' ' CB ' ' A' ' 32' ' ' ARG . 15.2 m-85 -38.38 -52.15 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 111.048 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 31' ' ' TYR . 0.3 OUTLIER 80.9 -51.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -135.27 132.28 37.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.541 ' CD2' ' HE2' ' A' ' 27' ' ' LYS . 47.8 m-85 -37.84 130.58 1.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.519 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 71.0 mm-40 -109.39 140.37 43.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.47 ' CG ' HD21 ' A' ' 25' ' ' LEU . 72.5 m80 -86.7 104.09 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.585 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.519 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 33.0 m-85 -127.16 139.03 53.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -64.07 92.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 108.02 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.567 HG21 ' CH2' ' A' ' 104' ' ' TRP . 23.1 m -82.71 142.94 31.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.434 ' OE1' ' CE1' ' A' ' 49' ' ' TYR . 20.5 mt-10 -135.67 123.15 22.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 107' ' ' PHE . 0.7 OUTLIER -91.01 118.27 30.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -138.59 127.04 23.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.15 -103.84 0.39 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.0 p -139.67 28.23 2.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 0.761 . . . . 0.0 110.377 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -133.04 125.77 30.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.366 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.8 mt -79.01 119.35 22.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -105.64 134.0 49.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.517 ' CE1' HD11 ' A' ' 26' ' ' ILE . 24.2 m-85 -118.68 129.46 55.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 56' ' ' ILE . 47.1 m-85 -118.06 156.3 28.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.431 ' OG1' ' CB ' ' A' ' 54' ' ' SER . 76.6 p -60.03 -51.89 67.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.414 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -157.58 -51.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.7 tttt 176.34 -36.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.406 ' O ' ' CG1' ' A' ' 55' ' ' ILE . 63.7 mmtt -85.28 8.63 17.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -59.28 -21.53 59.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.406 ' CG1' ' O ' ' A' ' 53' ' ' LYS . 0.6 OUTLIER 67.81 -65.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.596 ' O ' ' CE2' ' A' ' 49' ' ' TYR . 4.4 mp -92.32 -113.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.612 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -162.89 149.26 12.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.5 p -82.1 -33.48 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.73 160.89 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -139.01 175.64 9.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.432 ' CD1' HG11 ' A' ' 91' ' ' VAL . 11.7 mt -148.89 160.63 43.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -121.56 127.57 51.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 10.3 pt -125.79 20.46 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.9 p -68.54 -32.24 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.6 19.43 20.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 tp -45.87 126.93 7.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -78.38 -46.4 20.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.1 m -175.8 -178.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 108.307 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tt -131.53 126.9 36.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.401 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 36.8 p -101.37 171.84 7.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.409 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -129.92 116.86 19.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -76.48 131.85 39.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -42.54 152.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.24 173.42 11.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.1 p -66.86 -58.35 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -176.28 77.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.255 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 44.7 79.11 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.375 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -121.61 -55.67 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 32.1 p -138.99 166.16 25.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 108.295 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.41 129.47 35.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -135.94 113.32 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.401 ' CB ' ' O ' ' A' ' 70' ' ' THR . 4.3 p90 -144.01 154.62 43.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.3 m -113.59 140.03 48.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.426 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.47 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.3 mm? -85.27 114.39 22.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.5 t -93.06 118.44 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mt -123.69 156.53 64.72 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.29 9.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -112.49 -55.46 2.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -159.39 150.72 20.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -95.67 143.44 26.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.432 HG11 ' CD1' ' A' ' 61' ' ' LEU . 74.6 t -126.89 152.17 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -102.75 134.09 46.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.415 HD12 ' CD2' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -126.35 151.61 47.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.252 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.503 ' HE2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -154.02 141.99 20.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.454 HG23 ' CD1' ' A' ' 24' ' ' LEU . 39.6 p -112.06 157.5 20.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.97 -63.77 1.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -96.04 139.11 32.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -44.07 -42.4 6.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -51.94 -60.18 3.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.77 -39.08 1.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.014 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.09 -68.35 1.7 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.43 -37.34 16.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.78 . . . . 0.0 110.269 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.99 -67.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.567 ' CH2' HG21 ' A' ' 39' ' ' THR . 95.6 m95 -54.37 -62.19 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 108.027 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -38.19 -48.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.62 -61.27 3.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 20' ' ' PHE . 5.9 m-85 -43.64 -45.1 6.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.491 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 1.8 mp -65.22 -62.19 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.3 mt -45.24 -25.43 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.428 ' N ' ' C ' ' A' ' 108' ' ' ILE . 99.1 m -81.14 -41.01 23.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.427 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.491 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 26.9 m -91.64 30.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 108' ' ' ILE . 23.7 p -147.99 -44.88 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.444 ' C ' ' N ' ' A' ' 115' ' ' SER . 7.4 mt-10 -97.16 9.64 41.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 113' ' ' GLU . 4.5 mp 40.04 29.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.444 ' N ' ' C ' ' A' ' 113' ' ' GLU . 5.5 t -140.86 168.36 19.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.056 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 56.3 t -110.5 118.08 49.68 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.12 5.94 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.489 1.784 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.1 -12.84 40.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -85.9 48.94 1.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 32.8 m -122.24 -177.84 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 122' ' ' LEU . 0.1 OUTLIER -120.9 -3.44 9.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.962 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.519 ' CD1' ' HB3' ' A' ' 126' ' ' GLN . 3.3 mt -45.94 171.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.552 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 0.0 OUTLIER -97.03 -178.69 0.77 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.552 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.08 -9.07 20.51 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -93.31 -30.7 8.98 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.549 1.156 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.519 ' HB3' ' CD1' ' A' ' 122' ' ' LEU . 21.7 mm100 -86.81 -60.15 2.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.73 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.494 ' C ' ' O ' ' A' ' 126' ' ' GLN . 15.0 t -33.59 -51.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.446 ' CD1' ' O ' ' A' ' 124' ' ' PRO . 68.4 mt -41.58 -54.84 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 126' ' ' GLN . 7.4 mmmm -38.06 -59.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.3 mt -44.36 -48.83 9.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 128' ' ' ILE . 1.8 m-70 -57.35 -62.06 2.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.591 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -54.21 -60.37 3.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.514 HG11 ' CG ' ' A' ' 19' ' ' TYR . 74.7 t -44.21 -46.78 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.424 HD21 ' CA ' ' A' ' 115' ' ' SER . 3.2 tp -54.98 -73.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -48.5 -22.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -52.35 23.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 110.251 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.418 ' OE2' ' O ' ' A' ' 110' ' ' THR . 9.8 pt-20 -73.13 -37.76 66.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 32.4 mttt -42.76 -49.29 5.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 142' ' ' ILE . 0.7 OUTLIER -55.99 -52.29 64.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 4.3 ttp85 -41.27 -41.66 1.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -50.42 -42.76 54.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.249 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 139' ' ' LYS . 54.4 mt -41.53 -77.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -41.31 -59.33 1.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.324 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 39.5 t -140.06 133.21 29.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.032 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 145.33 -171.45 26.41 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 173.45 14.49 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.11 129.0 24.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.018 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 37.5 t -124.5 -58.09 1.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.032 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -148.12 119.53 7.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.754 . . . . 0.0 109.991 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.54 80.17 1.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.048 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.87 134.16 4.99 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.37 93.18 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 110.039 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.2 -57.91 3.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.988 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.97 -85.42 0.38 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 56.56 80.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.774 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -97.36 139.32 33.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -125.11 85.06 2.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.403 HD11 ' N ' ' A' ' 11' ' ' LEU . 9.9 mp -86.88 157.19 19.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -88.78 -65.75 0.99 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.098 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mt -89.07 140.57 15.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.7 t -176.51 141.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.42 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.23 -75.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.16 142.55 97.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 119.28 5.58 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 tp -64.24 138.67 58.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.479 ' CG ' HG11 ' A' ' 133' ' ' VAL . 17.6 m-85 -125.07 -40.3 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.555 ' HB2' ' CE2' ' A' ' 107' ' ' PHE . 7.6 t80 -161.56 149.2 14.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.04 141.41 36.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.17 143.39 4.5 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -54.2 104.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 0.743 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.457 HD22 ' CD2' ' A' ' 93' ' ' LEU . 14.0 tp -102.25 153.01 20.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.415 HD22 ' CG ' ' A' ' 36' ' ' HIS . 13.7 mt -104.81 120.94 42.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.7 mm -113.14 131.91 63.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -126.24 55.86 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 30' ' ' GLY . 7.7 mtp180 -57.09 170.5 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.8 p -65.26 77.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 28' ' ' ARG . . . 143.62 62.9 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.521 ' O ' ' CB ' ' A' ' 32' ' ' ARG . 2.7 m-85 -146.6 -58.12 0.29 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 0.766 . . . . 0.0 111.057 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' ' 31' ' ' TYR . 2.9 tpt85 87.27 -40.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -134.87 124.59 25.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 47.7 m-85 -48.52 131.73 17.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.464 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 13.4 mm-40 -110.38 144.37 39.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.415 ' CG ' HD22 ' A' ' 25' ' ' LEU . 73.7 m80 -89.07 117.04 27.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.593 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.464 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 33.0 m-85 -133.79 138.22 45.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -68.46 85.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 107.988 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.531 HG21 ' CH2' ' A' ' 104' ' ' TRP . 3.6 m -82.02 146.8 29.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.412 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -135.24 127.69 30.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.8 OUTLIER -90.77 122.7 33.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.355 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -142.94 127.69 18.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.26 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.23 -96.31 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.6 p -147.33 21.14 1.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 110.384 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.554 HG21 ' CZ ' ' A' ' 47' ' ' PHE . 2.7 m -124.55 116.24 22.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.443 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.2 mt -74.73 117.37 16.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.557 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 67.4 m-85 -106.06 132.97 51.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -118.45 143.89 46.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 47' ' ' PHE . 39.1 m-85 -144.42 139.24 28.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.1 p -48.83 -37.21 18.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.4 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.44 -164.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -64.43 -44.68 90.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' SER . 3.8 mmmm -50.58 -23.44 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.464 ' CB ' ' HB3' ' A' ' 49' ' ' TYR . 88.0 p -38.85 118.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.81 -56.19 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 64.2 mt -107.66 -81.91 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER 179.36 148.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.1 p -85.56 -31.96 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.518 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . 0.7 OUTLIER 174.62 169.26 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -149.36 167.42 26.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 mt -138.05 176.74 8.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -135.82 133.55 37.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.1 pt -130.16 15.86 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.75 -40.26 83.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.52 18.72 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 tp -48.7 128.48 15.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -80.01 -33.04 39.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 169.66 -177.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 108.342 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.95 131.55 31.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 71' ' ' GLU . 9.1 t -117.08 -169.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.417 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.45 ' N ' ' OG1' ' A' ' 70' ' ' THR . 8.6 mt-10 -129.03 112.9 14.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -121.7 125.2 46.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -79.81 175.01 11.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.95 -71.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.2 m -83.12 151.77 25.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.418 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.96 178.11 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 68.09 132.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -69.91 111.01 5.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -142.83 170.13 16.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 108.296 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.36 114.25 13.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -133.73 114.87 13.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -144.8 157.77 44.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 m -116.76 139.52 50.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.499 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -87.1 114.14 23.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.7 t -88.22 117.81 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 mt -121.98 156.82 59.16 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.21 9.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.462 1.769 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -113.03 -58.36 2.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -156.03 148.51 23.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.81 134.02 34.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 92' ' ' GLN . 73.6 t -115.69 148.17 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.416 ' N ' HG12 ' A' ' 91' ' ' VAL . 47.6 mt-30 -104.99 140.13 38.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.457 ' CD2' HD22 ' A' ' 24' ' ' LEU . 1.9 mp -130.47 146.74 52.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.97 147.4 31.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.7 p -127.47 152.9 46.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -100.23 46.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 168.14 155.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 95.6 m -81.08 -25.97 36.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.438 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -63.88 -65.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.0 m -58.48 -31.42 67.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.958 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.93 -54.9 32.0 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -66.3 -37.81 86.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 0.728 . . . . 0.0 110.281 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.601 ' OE1' ' CD2' ' A' ' 107' ' ' PHE . 0.1 OUTLIER -52.9 -66.34 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 41' ' ' LEU . 88.9 m95 -52.33 -64.59 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 108.05 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 104' ' ' TRP . 9.5 ttp180 -37.33 -42.71 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.68 -67.77 1.78 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.601 ' CD2' ' OE1' ' A' ' 103' ' ' GLU . 1.4 m-85 -42.42 -40.99 2.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.763 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.494 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 1.6 mp -65.25 -60.48 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.404 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 51.2 mt -44.65 -26.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.417 ' N ' ' C ' ' A' ' 108' ' ' ILE . 91.8 m -80.1 -42.52 23.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.454 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.494 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 27.3 m -90.1 29.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 108' ' ' ILE . 19.3 p -142.87 -45.59 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.442 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -88.71 -17.03 30.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 73.68 22.24 2.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -141.67 -157.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 38.9 t -137.37 127.86 15.87 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 115.72 4.36 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -89.17 -18.18 27.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -93.64 27.05 2.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -82.3 -171.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 122' ' ' LEU . 0.4 OUTLIER -116.17 -28.82 6.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.959 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 121' ' ' SER . 1.5 tp -40.02 158.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.647 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.2 mm? -65.41 170.88 3.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.647 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.5 Cg_endo -75.03 -8.37 19.98 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.51 -33.89 6.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 129' ' ' LYS . 4.3 mt-30 -72.74 -48.44 38.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 110.308 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 t -43.25 -35.56 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 24.2 mt -52.89 -45.14 50.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 126' ' ' GLN . 5.2 mmmm -46.5 -52.03 14.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.414 HD22 ' CD1' ' A' ' 107' ' ' PHE . 5.5 mt -53.16 -46.61 68.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -53.58 -52.94 58.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.56 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -66.75 -58.4 5.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.479 HG11 ' CG ' ' A' ' 19' ' ' TYR . 39.5 t -44.82 -36.79 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.402 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 5.6 tp -59.23 -70.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 138' ' ' LYS . 2.5 pt-20 -43.39 -36.44 1.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 1.7 mpt_? -58.89 -60.35 4.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.471 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 0.9 OUTLIER -63.69 -26.79 68.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.471 ' N ' ' HG2' ' A' ' 137' ' ' GLU . 15.1 mttm -52.58 -57.83 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 138' ' ' LYS . 12.7 mmtt -39.82 -46.97 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 15.2 ttp85 -76.46 -35.51 58.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.484 ' HG3' ' N ' ' A' ' 142' ' ' ILE . 0.0 OUTLIER -58.28 -25.09 61.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.484 ' N ' ' HG3' ' A' ' 141' ' ' ARG . 91.9 mt -51.19 -82.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 142' ' ' ILE . 37.3 mt-10 -38.25 -67.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.68 116.55 28.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -153.35 -176.72 26.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 159.61 41.06 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 40.5 p -93.43 160.93 14.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 25.6 p -42.36 144.31 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.64 140.54 49.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 0.0 109.972 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.46 94.05 1.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.995 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.0 96.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.15 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.27 102.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.74 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.4 p -179.59 94.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.76 74.41 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.09 -58.4 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.785 . . . . 0.0 110.302 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -59.21 122.57 14.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 12' ' ' LYS . 17.2 mmt180 -69.0 -50.29 50.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.2 mt 66.0 -75.13 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 10' ' ' ARG . 7.0 ttpt -40.18 -57.76 1.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mm 65.52 -77.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 12' ' ' LYS . 31.2 m 60.93 90.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.42 74.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.46 HD23 ' CZ ' ' A' ' 140' ' ' ARG . 2.1 mt -117.25 113.7 38.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HB3' ' NH1' ' A' ' 136' ' ' ARG . 18.4 Cg_endo -74.99 118.92 5.44 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.451 1.764 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.5 tp -57.28 149.41 20.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.497 ' CG ' HG13 ' A' ' 133' ' ' VAL . 21.6 m-85 -129.53 -46.5 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.521 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 9.8 t80 -150.95 150.65 31.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 pm0 -147.25 144.88 29.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.54 131.88 1.37 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -41.04 102.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 0.715 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.42 ' CD2' HD22 ' A' ' 93' ' ' LEU . 21.6 tp -108.07 149.1 28.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.507 HD23 ' CG ' ' A' ' 36' ' ' HIS . 11.3 mt -100.87 130.23 46.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.2 mm -113.31 130.47 67.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 9.7 tttt -125.8 71.81 1.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.568 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -48.08 173.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.0 m -54.36 -47.74 72.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.043 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.73 73.12 0.22 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.568 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -126.75 115.38 19.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 0.783 . . . . 0.0 111.011 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -38.84 -30.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 31' ' ' TYR . 3.0 pt-20 174.07 170.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 60.0 m-85 -52.49 124.02 12.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.533 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 38.7 mm-40 -101.89 135.81 42.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.507 ' CG ' HD23 ' A' ' 25' ' ' LEU . 11.3 m80 -88.25 120.53 29.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.632 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 29.8 m-85 -150.31 136.18 18.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' TYR . 70.6 t-105 -61.42 89.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 108.012 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 53.1 m -82.47 135.49 35.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.424 ' OE1' ' NH2' ' A' ' 42' ' ' ARG . 20.5 mt-10 -126.21 127.98 46.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.341 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.3 119.32 31.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.424 ' NH2' ' OE1' ' A' ' 40' ' ' GLU . 29.8 mtt180 -137.65 128.38 26.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 49.85 -95.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 p -144.65 23.78 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.398 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.1 m -126.94 119.85 27.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.8 mt -79.02 119.13 21.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -110.15 118.78 37.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -102.16 138.01 39.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.551 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 70.8 m-85 -132.19 168.54 17.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.8 p -79.22 -47.74 15.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 110.375 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.54 -70.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.12 -59.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.35 -31.96 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -50.58 120.63 4.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.4 mm -84.91 -50.81 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' TYR . 15.2 mm -90.67 97.57 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.551 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 49.5 p90 -37.42 133.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.4 p -55.86 -45.06 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.358 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -158.18 160.92 37.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -143.03 168.62 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.9 mt -147.29 159.49 43.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -125.93 127.73 46.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.4 pt -126.46 25.96 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.3 p -69.41 -40.88 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.08 20.17 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.431 HD13 ' CD1' ' A' ' 84' ' ' LEU . 5.4 tp -51.2 130.88 27.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.1 m -81.27 -35.37 31.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 175.44 -173.82 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.452 HD23 ' CG ' ' A' ' 105' ' ' ARG . 0.6 OUTLIER -131.69 129.95 41.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.5 p -105.83 168.21 9.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -129.62 115.28 17.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -65.42 114.29 4.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -144.34 142.38 30.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.45 -55.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 110.019 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.5 m -112.06 148.94 32.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.405 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -43.8 98.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.34 -173.8 2.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -153.42 172.73 16.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 77.1 m 61.97 157.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 108.318 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.58 127.45 33.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.443 ' NZ ' ' OH ' ' A' ' 34' ' ' TYR . 4.1 mtpp -136.02 114.48 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.511 ' CE1' ' HB3' ' A' ' 93' ' ' LEU . 7.1 p90 -139.09 156.79 46.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.9 m -114.63 145.13 42.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.445 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -90.67 102.07 14.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.247 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.9 t -76.92 103.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.476 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -110.9 156.15 41.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 1.16 8.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.488 1.783 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -113.72 -59.16 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.476 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 5.3 tt0 -155.94 149.35 24.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -88.86 144.2 26.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 92' ' ' GLN . 55.4 t -132.59 138.13 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.406 ' N ' HG12 ' A' ' 91' ' ' VAL . 66.0 mt-30 -92.83 148.43 22.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.511 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -136.16 133.6 37.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -144.0 141.65 30.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.0 p -114.01 -165.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.386 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.86 -68.65 0.79 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.362 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -89.07 166.44 13.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.8 m -70.55 -46.04 64.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.409 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -51.77 -64.41 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 m -42.23 -32.47 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.97 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.11 -63.3 5.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.145 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -53.41 -33.3 53.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 0.763 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.521 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 2.5 tt0 -52.97 -66.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.426 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 77.3 m95 -53.16 -65.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.452 ' CG ' HD23 ' A' ' 69' ' ' LEU . 5.7 ttp180 -37.67 -41.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.37 -62.22 4.8 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.42 ' CE2' ' HB2' ' A' ' 20' ' ' PHE . 4.9 m-85 -52.32 -39.06 60.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 110.978 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.477 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 1.6 mp -65.1 -61.45 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.8 mt -44.46 -26.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.482 ' CG2' ' HB2' ' A' ' 134' ' ' LEU . 64.3 m -79.15 -44.17 22.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.371 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 20.6 m -88.68 30.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 25.1 p -145.64 -45.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.368 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -86.79 -16.16 37.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.248 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.425 ' HG ' ' NH2' ' A' ' 141' ' ' ARG . 1.3 mm? 70.88 18.83 5.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.442 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -145.96 176.91 9.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.979 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 37.8 t -107.9 126.57 29.5 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.522 1.801 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -89.37 -17.65 28.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.359 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -92.55 23.06 4.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -78.98 -171.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 122' ' ' LEU . 0.3 OUTLIER -116.97 -31.61 5.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.014 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 121' ' ' SER . 1.2 tp -40.12 159.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.622 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.4 mm? -66.44 169.86 6.7 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.622 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.2 Cg_endo -75.0 -7.05 18.81 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.492 1.785 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.454 ' HA2' ' CD1' ' A' ' 128' ' ' ILE . . . -97.02 -35.17 5.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -73.21 -43.49 61.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 0.735 . . . . 0.0 110.242 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.9 -38.71 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.454 ' CD1' ' HA2' ' A' ' 125' ' ' GLY . 14.3 mt -47.53 -41.87 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -49.03 -50.39 36.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 134' ' ' LEU . 9.9 mt -55.53 -47.21 76.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -50.12 -56.58 10.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.616 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.91 -55.9 12.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.497 HG13 ' CG ' ' A' ' 19' ' ' TYR . 32.2 t -48.14 -35.07 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.517 HD12 ' CG ' ' A' ' 138' ' ' LYS . 4.8 tp -61.59 -74.93 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.417 ' O ' ' CD ' ' A' ' 139' ' ' LYS . 33.6 mt-10 -44.34 -25.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.416 ' N ' ' C ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -64.85 -38.34 90.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.536 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 1.2 pt-20 -88.77 -31.43 18.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.536 ' N ' ' HG2' ' A' ' 137' ' ' GLU . 6.6 mtmp? -53.62 -32.6 51.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.417 ' CD ' ' O ' ' A' ' 135' ' ' GLU . 1.7 mptt -63.88 -49.19 73.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.46 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 48.1 mtp85 -47.04 -37.41 9.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.425 ' NH2' ' HG ' ' A' ' 114' ' ' LEU . 0.7 OUTLIER -51.92 -38.42 56.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 71.6 mt -42.21 -79.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -49.67 -58.85 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 5.6 t -98.07 91.24 5.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.954 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 178.28 171.65 41.85 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 150.98 38.77 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 13.6 m -95.56 141.52 28.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.035 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.44 -58.2 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.041 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 p -130.61 -50.65 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.978 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.41 -87.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.981 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.03 102.14 0.21 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -164.51 112.05 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -130.83 146.27 52.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.55 -172.06 47.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -162.37 94.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 46.64 68.08 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 98.74 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 mp -48.12 163.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.76 100.71 13.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mp -113.11 143.81 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.477 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 3.8 t -158.14 153.79 26.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 14' ' ' THR . . . 82.78 -68.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.49 ' CD1' ' N ' ' A' ' 43' ' ' GLY . 20.3 tp -110.15 101.98 49.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.469 ' CG ' ' HD2' ' A' ' 136' ' ' ARG . 18.4 Cg_endo -75.03 137.73 22.02 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.416 HD12 ' CD ' ' A' ' 42' ' ' ARG . 4.7 tp -74.67 144.48 43.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.486 ' O ' ' CE1' ' A' ' 107' ' ' PHE . 22.2 m-30 -116.82 -40.47 3.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 103' ' ' GLU . 9.7 t80 -158.37 156.18 30.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -152.09 132.92 14.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.544 ' HA2' ' CZ3' ' A' ' 38' ' ' TRP . . . 178.72 157.17 18.79 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.599 ' CD1' ' CE1' ' A' ' 36' ' ' HIS . 5.1 m-85 -70.85 100.8 1.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 0.721 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.427 ' CB ' ' HB ' ' A' ' 39' ' ' THR . 7.6 tp -99.55 157.02 16.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.0 mt -108.21 124.85 50.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 mm -113.59 143.73 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HD3' ' CD2' ' A' ' 34' ' ' TYR . 24.0 ttpt -146.95 65.17 1.17 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.42 ' HG3' ' CE2' ' A' ' 31' ' ' TYR . 7.9 mtm105 -67.45 -156.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 p -90.28 94.28 9.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.71 37.8 0.53 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.562 1.163 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.443 ' O ' ' HB2' ' A' ' 32' ' ' ARG . 8.1 m-85 -122.47 -34.89 3.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 0.762 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 31' ' ' TYR . 2.2 mmm180 69.55 -54.35 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 31' ' ' TYR . 7.0 mt-10 -131.83 125.32 31.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.56 ' CD2' ' HD3' ' A' ' 27' ' ' LYS . 31.1 m-85 -39.39 133.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 54.9 mt-10 -105.76 128.0 53.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.599 ' CE1' ' CD1' ' A' ' 23' ' ' PHE . 55.3 t-80 -71.85 119.2 15.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.605 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 32.5 m-85 -145.71 139.85 26.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.544 ' CZ3' ' HA2' ' A' ' 22' ' ' GLY . 60.8 t-105 -66.42 88.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.427 ' HB ' ' CB ' ' A' ' 24' ' ' LEU . 22.9 m -81.58 120.27 24.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -113.99 129.26 56.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 107' ' ' PHE . 0.2 OUTLIER -91.14 124.25 35.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.453 ' HB3' ' CG ' ' A' ' 16' ' ' LEU . 7.2 mtt180 -153.51 126.84 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.49 ' N ' ' CD1' ' A' ' 16' ' ' LEU . . . 34.71 67.03 0.28 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.2 p 40.16 58.62 2.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 110.35 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.9 m -157.07 102.61 1.98 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.43 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.3 mt -72.77 107.92 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -99.11 118.82 36.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 61' ' ' LEU . 8.1 m-85 -98.59 132.23 44.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 57' ' ' TYR . 61.0 m-85 -129.75 159.51 36.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.1 p -71.04 -35.3 71.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.89 -71.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.8 tttt -171.71 -61.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.366 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.58 -40.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.7 t -40.91 120.71 1.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -81.96 -54.93 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' TYR . 38.4 mm -87.94 93.99 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 37.1 p90 -37.91 136.69 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.1 p -53.28 -32.77 19.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.07 157.63 1.87 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.436 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 8.0 pttt -136.07 159.16 42.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 2.9 mt -127.99 168.52 15.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.54 130.14 51.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 pp -142.97 53.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.8 p -103.94 -32.31 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.31 15.39 23.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.3 tp -40.67 134.72 1.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.11 -33.27 20.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 174.13 -171.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -137.06 126.94 25.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.509 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 24.9 p -102.52 169.26 8.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -128.78 149.19 50.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -94.36 138.24 32.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -42.47 137.41 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.81 -57.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.95 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.2 m 61.77 150.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.38 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 64.12 159.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -42.61 131.36 3.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 79' ' ' CYS . 6.6 p-10 178.59 168.98 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.429 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 60.8 m -46.53 159.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 108.264 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.401 ' O ' ' OG1' ' A' ' 95' ' ' THR . . . -102.86 115.15 30.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -126.12 115.9 20.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.509 ' CB ' ' O ' ' A' ' 70' ' ' THR . 4.2 p90 -145.92 156.64 43.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.9 m -111.0 138.29 47.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.416 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.2 mm? -85.55 104.34 15.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.1 t -81.65 118.91 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 89' ' ' GLU . 5.7 mt -121.64 157.76 55.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 2.09 7.02 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -114.48 -57.56 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 8.8 tt0 -154.27 156.47 37.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 7.6 mt-10 -94.92 132.12 40.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.261 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.6 t -115.08 150.01 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -101.4 138.8 37.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.419 ' HB2' ' CD2' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -135.33 134.34 39.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -135.62 145.98 47.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 80' ' ' ALA . 2.9 p -122.76 146.03 47.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.412 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -102.66 44.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 176.31 165.02 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.8 p -85.58 -46.9 10.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.55 -57.03 14.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.29 -34.46 33.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.37 -62.81 5.61 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -53.88 -34.57 59.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 110.337 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -58.01 -68.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.265 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.461 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 98.5 m95 -56.28 -63.25 1.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 107.991 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 104' ' ' TRP . 4.4 ttp180 -38.11 -33.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.61 -69.47 1.38 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.547 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 10.7 m-85 -38.46 -40.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.78 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.501 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 1.7 mp -66.26 -62.77 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.1 mt -43.46 -26.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.451 ' N ' ' C ' ' A' ' 108' ' ' ILE . 62.9 m -79.89 -43.43 22.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.455 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.501 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 23.2 m -88.83 29.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 108' ' ' ILE . 12.3 p -144.76 -44.18 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.393 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 114' ' ' LEU . 7.3 mt-10 -102.88 12.43 36.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.451 ' CD1' ' HG3' ' A' ' 137' ' ' GLU . 1.6 tp 37.32 34.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.429 ' N ' ' C ' ' A' ' 113' ' ' GLU . 0.6 OUTLIER -141.3 173.95 11.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 45.8 t -116.0 119.56 36.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 139.75 24.55 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.68 -5.88 18.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -92.22 29.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 17.7 m -107.05 139.21 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 122' ' ' LEU . 0.6 OUTLIER -82.61 6.71 16.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.511 ' CD1' ' HB3' ' A' ' 126' ' ' GLN . 3.0 mt -50.2 -177.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.591 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -110.35 -174.14 0.28 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.591 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.2 Cg_endo -74.99 -19.21 18.1 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.476 1.777 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.2 -34.01 13.39 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.511 ' HB3' ' CD1' ' A' ' 122' ' ' LEU . 16.6 mm100 -81.74 -61.7 1.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 0.772 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.479 ' C ' ' O ' ' A' ' 126' ' ' GLN . 24.3 t -34.19 -55.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 124' ' ' PRO . 53.6 mt -40.4 -54.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.475 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 10.5 mmmm -38.55 -55.99 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.7 mt -47.47 -47.38 27.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 128' ' ' ILE . 2.0 m-70 -58.71 -57.32 13.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.613 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -57.61 -59.84 4.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.445 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 55.9 t -43.56 -47.19 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.1 tp -52.12 -72.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.77 -34.31 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.469 ' HD2' ' CG ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -60.93 -66.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.451 ' HG3' ' CD1' ' A' ' 114' ' ' LEU . 1.2 pt-20 -59.95 -26.25 65.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.449 ' N ' ' HG2' ' A' ' 137' ' ' GLU . 18.0 mttm -52.14 -63.2 1.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 142' ' ' ILE . 30.3 mmtt -44.95 -50.66 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 144' ' ' SER . 4.4 mtp85 -42.99 -29.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 142' ' ' ILE . 3.3 mmp_? -64.29 -42.11 96.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 139' ' ' LYS . 34.0 mt -39.68 -76.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -95.32 68.68 3.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 140' ' ' ARG . 2.4 t -179.53 138.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.994 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 115.73 158.09 11.52 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -173.94 1.75 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.512 1.796 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 15.9 p -73.4 142.63 46.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.01 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.61 170.47 1.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.13 . . . . 0.0 111.016 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t -178.63 146.37 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 109.982 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.7 p -178.52 96.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.16 139.78 2.76 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.448 1.092 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -160.18 137.55 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.959 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.5 p -102.98 113.13 26.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.987 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.91 -138.16 2.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -128.99 86.27 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -93.29 108.41 20.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.71 104.5 15.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 110.271 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.5 172.78 13.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.14 161.35 15.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.2 tt -41.85 145.69 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.1 m 43.22 83.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.362 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.92 116.49 29.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.452 ' CD2' ' HA3' ' A' ' 43' ' ' GLY . 0.6 OUTLIER -60.5 143.53 89.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.256 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 112.54 3.58 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.523 1.801 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 40' ' ' GLU . 9.2 tp -62.33 137.46 58.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.419 ' CG ' HG13 ' A' ' 133' ' ' VAL . 22.3 m-85 -116.82 -38.22 3.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 103' ' ' GLU . 7.3 t80 -158.44 151.77 23.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 pm0 -150.02 138.49 20.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.97 132.21 1.58 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 111.027 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -41.87 98.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.9 tp -101.28 157.99 16.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.515 HD22 ' CG ' ' A' ' 36' ' ' HIS . 11.8 mt -113.21 129.68 56.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.9 mm -118.06 137.5 51.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.594 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 18.3 ttpt -111.84 -13.1 13.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 40.35 -91.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -175.89 78.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.995 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.61 -31.46 0.93 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.496 ' CE1' ' CG ' ' A' ' 35' ' ' GLU . 8.5 m-85 -55.43 -54.88 38.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.776 . . . . 0.0 111.031 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.48 -52.65 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.479 ' O ' ' HB2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -97.96 9.08 43.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.35 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.594 ' CE1' ' HB2' ' A' ' 27' ' ' LYS . 17.2 m-85 58.37 150.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.57 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 11.8 mm-40 -113.88 126.63 55.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.515 ' CG ' HD22 ' A' ' 25' ' ' LEU . 77.1 m80 -70.03 130.16 41.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 17.0 m-85 -158.47 133.16 8.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.422 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 43.7 t-105 -61.6 86.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 37' ' ' TYR . 90.2 m -82.6 137.34 34.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.466 ' HB2' ' CD1' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -139.44 140.54 37.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 107' ' ' PHE . 0.9 OUTLIER -90.39 119.04 30.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.54 ' O ' ' C ' ' A' ' 43' ' ' GLY . 20.3 mtt180 -135.42 126.26 27.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 42' ' ' ARG . . . 25.07 81.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.468 ' C ' ' O ' ' A' ' 43' ' ' GLY . 71.0 p 32.92 60.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.788 . . . . 0.0 110.398 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.638 ' CG2' ' CE2' ' A' ' 47' ' ' PHE . 1.4 m -167.61 106.18 0.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.1 mt -74.56 127.09 32.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.638 ' CE2' ' CG2' ' A' ' 45' ' ' THR . 46.8 m-85 -115.77 118.01 31.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -95.77 115.96 28.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.558 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 64.6 m-85 -110.73 167.28 10.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.4 p -81.54 -23.36 37.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.413 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 38' ' ' TRP . 8.6 m-20 -176.81 -81.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -161.84 -59.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -41.44 -33.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.8 t -46.75 126.57 8.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.7 mt -79.56 -45.0 23.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.2 pp -113.77 127.92 70.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.558 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 35.0 p90 -55.55 136.86 49.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 59' ' ' ASP . 12.4 p -54.47 -31.41 23.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.447 ' N ' HG12 ' A' ' 58' ' ' VAL . 1.2 m-20 -176.33 158.28 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -137.17 164.76 27.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.454 ' CD1' HG23 ' A' ' 91' ' ' VAL . 6.6 mt -139.01 150.69 46.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.03 134.52 50.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.3 pt -129.44 15.69 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.6 -34.36 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.2 14.15 21.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.23 131.83 3.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -85.84 -30.98 22.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.437 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 168.98 -178.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 108.31 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.81 132.31 51.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.9 p -107.78 170.94 7.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.438 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -129.03 153.22 47.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -116.52 113.33 22.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.83 158.08 6.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -163.58 165.09 23.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.8 m -122.54 -59.51 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -76.29 111.94 12.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.15 109.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -89.36 106.48 18.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 67.0 m -116.39 164.75 14.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.29 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.15 113.71 12.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -136.72 122.26 19.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -149.86 156.46 41.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 m -112.25 139.96 47.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.489 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.2 mm? -86.37 115.11 23.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.8 t -92.97 118.63 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.8 mt -123.89 157.73 62.31 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.268 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 1.67 7.5 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.963 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.27 -59.04 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -154.92 150.43 27.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -95.23 131.26 41.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.454 HG23 ' CD1' ' A' ' 61' ' ' LEU . 92.7 t -116.55 143.83 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.403 ' N ' HG13 ' A' ' 91' ' ' VAL . 60.1 mt-30 -94.88 149.54 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.431 HD13 ' CD2' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -136.89 138.47 40.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -147.05 133.5 19.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.6 p -109.85 -177.24 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.42 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.05 -62.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -85.88 122.05 29.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.6 m -39.3 -48.5 1.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.414 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -53.04 -54.62 32.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.65 -35.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.74 -57.16 20.87 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -50.6 -32.57 19.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.622 ' OE1' ' CD2' ' A' ' 107' ' ' PHE . 0.5 OUTLIER -63.37 -67.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.472 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 91.9 m95 -53.26 -61.96 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 104' ' ' TRP . 8.0 ttt180 -37.04 -51.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.9 -69.67 1.25 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.622 ' CD2' ' OE1' ' A' ' 103' ' ' GLU . 1.8 m-85 -39.36 -44.49 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.506 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 1.9 mp -68.06 -59.91 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.464 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 22.8 mt -46.19 -21.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 115' ' ' SER . 94.7 m -83.75 -58.77 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 110.415 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.506 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 12.7 m -62.72 -11.33 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 108' ' ' ILE . 32.8 p -99.27 -59.98 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -69.58 -22.95 63.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 110.343 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 110' ' ' THR . 0.2 OUTLIER 78.29 15.34 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.492 ' O ' ' CG2' ' A' ' 110' ' ' THR . 0.1 OUTLIER -138.33 -158.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 97.2 t -127.53 122.64 22.79 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 135.79 19.53 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.525 1.802 . . . . 0.0 110.954 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.71 -8.77 42.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.35 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -89.62 52.98 2.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 19.1 m -127.49 135.15 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.23 -3.93 56.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.002 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.6 tp -47.35 160.62 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.617 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.2 mm? -64.9 169.56 5.26 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.617 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.03 -8.31 19.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.65 -34.45 5.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -73.31 -43.45 60.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.06 -33.44 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 34.9 mt -54.43 -47.49 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -44.17 -54.68 5.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 50.0 mt -48.68 -41.51 31.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -66.47 -41.3 89.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.596 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -69.45 -53.9 16.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.588 HG22 ' CE1' ' A' ' 107' ' ' PHE . 62.8 t -51.81 -42.0 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 5.6 tp -55.92 -65.75 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -50.31 -32.06 16.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 0.8 OUTLIER -63.57 -61.82 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 1.1 pt-20 -64.24 -25.3 68.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.441 ' N ' ' HG2' ' A' ' 137' ' ' GLU . 11.6 mttm -51.13 -56.99 9.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 142' ' ' ILE . 61.7 mmtt -44.48 -52.43 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.76 -42.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.412 ' NE ' ' CD1' ' A' ' 114' ' ' LEU . 3.3 mtm180 -48.89 -46.78 43.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 139' ' ' LYS . 6.5 mt -45.94 -82.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -43.48 -64.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.18 155.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -142.87 -152.52 5.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.778 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 25.7 p 179.37 -56.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.959 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 96.7 p -67.49 111.8 4.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 m -111.89 164.02 13.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -132.01 159.85 37.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.21 127.51 1.64 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.453 1.095 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -137.2 156.7 48.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 0.813 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 t -139.18 136.33 34.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.021 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.6 -103.49 2.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.43 1.081 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -91.82 133.9 35.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 110.285 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -57.76 -59.58 5.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 50.62 91.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.8 mt -85.7 122.65 30.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.246 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -121.07 139.56 53.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mp -126.33 134.92 65.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.253 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.1 m -145.92 -54.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.376 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.92 -179.41 4.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.505 ' CB ' ' HB3' ' A' ' 42' ' ' ARG . 4.1 mm? -65.01 161.39 48.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.472 ' O ' ' O ' ' A' ' 18' ' ' LEU . 18.3 Cg_endo -74.99 -15.51 20.72 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.626 ' O ' ' CD1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER 55.7 159.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 18' ' ' LEU . 23.1 m-85 -144.58 -41.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.601 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 7.7 t80 -142.65 164.66 29.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.586 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 0.1 OUTLIER -161.02 109.9 1.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.43 144.32 9.41 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 38' ' ' TRP . 8.1 m-85 -51.19 111.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 39' ' ' THR . 20.7 tp -112.92 152.08 29.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 34' ' ' TYR . 14.8 mt -99.38 121.51 41.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.472 HD11 ' CE1' ' A' ' 48' ' ' PHE . 25.4 mm -108.93 123.79 65.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -122.99 116.04 22.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -132.4 178.19 7.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.38 83.62 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.995 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.7 45.86 0.08 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.445 1.09 . . . . 0.0 110.965 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.465 ' O ' ' CB ' ' A' ' 32' ' ' ARG . 2.8 m-85 -134.57 -44.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 82.18 -49.87 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -136.58 150.84 48.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 77.6 m-85 -62.88 123.23 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 48.9 mt-10 -100.6 130.07 46.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.421 ' CG ' HD23 ' A' ' 25' ' ' LEU . 51.0 m80 -77.19 117.53 18.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.605 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.477 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 29.1 m-85 -137.16 138.45 40.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.586 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 75.6 t-105 -64.06 94.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.021 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.546 HG23 ' CH2' ' A' ' 104' ' ' TRP . 74.5 m -92.96 146.87 23.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.48 ' HG2' ' CB ' ' A' ' 21' ' ' GLU . 41.7 mt-10 -138.42 133.23 32.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.548 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.9 OUTLIER -90.82 116.36 28.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.578 ' HD2' ' CD1' ' A' ' 47' ' ' PHE . 84.3 mtt180 -123.73 130.12 52.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' ARG . . . 36.03 -94.49 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.558 1.161 . . . . 0.0 111.056 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 42' ' ' ARG . 3.2 p -134.03 11.01 3.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.444 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.448 HG21 ' CZ ' ' A' ' 47' ' ' PHE . 8.0 m -116.46 125.7 52.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.347 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.5 mt -86.65 125.01 33.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.578 ' CD1' ' HD2' ' A' ' 42' ' ' ARG . 73.7 m-85 -115.92 129.46 56.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.472 ' CE1' HD11 ' A' ' 26' ' ' ILE . 12.2 m-85 -110.64 144.3 39.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.518 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 88.9 m-85 -137.25 165.19 26.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.9 p -73.57 -47.95 36.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.403 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.456 ' O ' ' CG ' ' A' ' 38' ' ' TRP . 2.5 m-20 -144.99 -65.53 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -176.53 -54.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -43.38 -36.23 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.2 t -50.2 121.94 6.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -85.25 -54.32 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' TYR . 4.1 mp -86.51 98.61 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.518 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 51.1 p90 -37.57 133.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.1 p -55.68 -38.46 50.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -165.42 155.11 12.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.483 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 9.9 pttt -134.12 166.93 21.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 mt -139.3 170.04 16.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.348 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -133.21 128.36 35.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.6 pt -133.38 28.07 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.3 p -72.91 -32.33 39.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.32 19.07 16.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.237 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 tp -44.05 130.72 6.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -85.61 -33.36 21.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 172.66 -179.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 108.282 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.42 HD22 ' CG ' ' A' ' 105' ' ' ARG . 0.6 OUTLIER -130.87 128.28 40.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.458 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 32.0 p -105.29 174.16 6.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -129.77 115.38 17.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -70.31 129.29 38.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -44.21 148.02 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 59.6 p -164.26 115.94 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 m -72.24 139.63 48.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.37 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 59.15 162.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -49.84 104.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.3 159.1 28.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 26.4 p -50.59 164.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 108.249 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.05 115.1 16.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -120.54 119.02 31.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.531 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 2.9 p90 -143.44 155.8 44.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 m -112.1 134.38 53.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.6 mm? -80.69 108.96 14.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 44.2 t -86.97 111.15 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 89' ' ' GLU . 1.2 mt -116.04 156.38 46.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.72 8.57 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.791 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -114.44 -58.08 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.5 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 4.2 tt0 -157.69 148.31 20.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.233 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -89.36 158.11 17.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.1 t -142.3 145.91 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -102.31 132.33 48.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.424 HD13 ' CD2' ' A' ' 84' ' ' LEU . 3.1 mp -119.47 161.2 20.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -154.27 155.86 35.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.464 HG21 ' CD1' ' A' ' 24' ' ' LEU . 2.6 p -133.37 173.1 11.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -83.56 -75.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.77 178.33 6.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 53.3 m -76.88 -47.68 20.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.393 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -44.81 -61.35 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 95.0 p -41.14 -46.85 3.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.995 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -46.36 -62.14 3.72 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -56.61 -33.02 65.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.601 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 2.1 mt-10 -60.05 -63.07 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.282 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.548 ' CZ3' ' HB2' ' A' ' 41' ' ' LEU . 68.7 m95 -57.02 -67.21 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 107.975 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.531 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -37.1 -68.73 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -43.77 -46.66 7.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.512 ' CE1' HG22 ' A' ' 133' ' ' VAL . 0.5 OUTLIER -65.61 -41.38 92.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 110.976 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.477 ' HA ' ' CG2' ' A' ' 111' ' ' VAL . 1.5 mp -65.91 -58.96 4.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.401 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 36.8 mt -46.17 -25.59 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.411 ' O ' ' OE2' ' A' ' 137' ' ' GLU . 82.9 m -80.77 -40.72 24.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' A' ' 108' ' ' ILE . 35.5 m -91.65 28.68 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 108' ' ' ILE . 22.3 p -143.73 -45.71 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -86.51 -15.54 39.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.467 HD21 ' CZ ' ' A' ' 141' ' ' ARG . 1.4 mm? 70.67 24.93 4.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.6 t -144.35 -160.44 1.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.7 t -133.94 122.74 16.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 145.72 31.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -106.36 -5.4 19.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -90.74 40.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 19.9 m -115.08 131.01 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.43 -10.85 59.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.5 tp -42.92 161.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.615 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.1 mm? -66.52 169.57 7.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.615 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.0 -7.67 19.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.75 -34.81 5.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 129' ' ' LYS . 2.3 mm100 -73.19 -45.41 56.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 110.342 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 t -46.1 -34.14 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 23.3 mt -56.53 -43.4 78.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 126' ' ' GLN . 5.7 mmmm -46.49 -51.77 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.42 -42.31 61.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -63.83 -48.49 76.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.635 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -64.8 -60.94 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.543 HG12 ' CD2' ' A' ' 19' ' ' TYR . 67.6 t -42.85 -40.73 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.475 ' O ' ' CG ' ' A' ' 137' ' ' GLU . 4.0 tp -56.03 -67.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.419 ' HA ' ' HB2' ' A' ' 138' ' ' LYS . 1.8 pt-20 -44.35 -41.18 5.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 1.0 OUTLIER -54.26 -52.66 60.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 134' ' ' LEU . 4.5 pt-20 -69.99 -31.54 69.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 25.8 mttm -51.21 -41.65 60.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 142' ' ' ILE . 0.0 OUTLIER -59.39 -62.4 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 -42.97 -42.59 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.467 ' CZ ' HD21 ' A' ' 114' ' ' LEU . 11.3 mmt180 -53.24 -40.76 64.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 139' ' ' LYS . 34.9 mt -42.38 -78.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -38.89 -61.08 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.0 t 67.46 170.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.035 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -170.17 -170.05 34.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.12 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.12 6.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.438 1.757 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.9 t -141.73 -57.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 20.2 m 63.44 154.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.038 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.898 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.844 HD11 ' OE1' ' A' ' 40' ' ' GLU . 15.3 tp -75.69 142.23 42.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.556 ' CD2' HG13 ' A' ' 133' ' ' VAL . 22.7 m-30 -122.98 -46.64 2.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.514 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 7.0 t80 -146.0 163.75 34.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 1.4 pt-20 -157.28 140.26 15.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.77 146.77 4.98 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -55.85 108.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.787 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.858 HD21 ' CD2' ' A' ' 93' ' ' LEU . 27.7 tp -109.39 150.01 28.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.61 HD23 ' O ' ' A' ' 35' ' ' GLU . 10.1 mt -105.52 125.73 51.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.444 ' HB ' ' CG ' ' A' ' 35' ' ' GLU . 23.6 mm -103.82 145.49 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.606 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 8.1 tttt . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.606 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 24.1 m-85 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.511 0.196 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.61 ' O ' HD23 ' A' ' 25' ' ' LEU . 1.4 pt-20 -89.72 149.68 22.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.542 ' O ' ' CG ' ' A' ' 37' ' ' TYR . 31.1 t-80 -103.82 134.07 47.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.622 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.561 ' CE1' HG11 ' A' ' 58' ' ' VAL . 40.9 m-85 -168.24 145.76 4.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 72.0 t-105 -72.33 92.54 1.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.465 HG23 ' CD1' ' A' ' 48' ' ' PHE . 94.7 m -81.68 139.63 34.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.844 ' OE1' HD11 ' A' ' 18' ' ' LEU . 13.3 mm-40 -127.52 130.37 49.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.479 HD21 HG21 ' A' ' 111' ' ' VAL . 0.5 OUTLIER -90.82 116.51 28.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -137.73 127.09 24.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.54 -93.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 p -146.82 19.16 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 110.352 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 61' ' ' LEU . 2.8 m -124.95 125.19 43.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.422 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.6 mt -82.2 123.46 29.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -110.4 120.01 41.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 61' ' ' LEU . 8.6 m-85 -98.9 129.97 45.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.519 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 64.7 m-85 -123.54 177.12 5.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.6 p -110.69 -30.33 7.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.411 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -161.07 155.61 23.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -34.35 69.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -47.84 84.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 m -49.89 133.38 22.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.3 mp -99.53 -38.72 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.5 mm -95.98 114.69 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.519 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 42.0 p90 -57.72 128.94 39.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.561 HG11 ' CE1' ' A' ' 37' ' ' TYR . 15.0 p -50.78 -34.49 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.37 157.73 11.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -136.5 159.42 41.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 45' ' ' THR . 1.4 mt -120.54 -161.91 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -161.31 128.81 4.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.439 HD12 ' CG2' ' A' ' 112' ' ' THR . 1.2 pp -138.94 40.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.361 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.3 p -86.12 -33.24 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.14 17.37 17.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.409 HD13 HD12 ' A' ' 84' ' ' LEU . 1.5 tp -42.14 133.23 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.93 -27.97 19.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.377 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 167.94 -179.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 108.277 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tt -132.44 128.53 37.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.9 p -105.79 163.01 13.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.366 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 9.0 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.575 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -100.29 117.88 35.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -130.52 113.52 14.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.447 ' CD2' ' HG3' ' A' ' 105' ' ' ARG . 3.7 p90 -135.35 155.67 50.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.3 m -109.99 134.97 51.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.356 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.552 ' CD2' HD13 ' A' ' 93' ' ' LEU . 1.7 mm? -84.35 105.77 15.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.1 t -83.98 119.68 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.88 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.5 mt -121.83 157.88 56.09 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.04 8.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -114.92 -58.43 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.88 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.1 tt0 -157.39 151.37 24.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.53 153.38 20.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.3 t -140.37 144.79 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -92.46 147.27 23.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.858 ' CD2' HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -139.19 150.22 45.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -154.52 157.56 38.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.617 HG21 ' HA2' ' A' ' 101' ' ' GLY . 67.6 p -122.41 -161.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -95.57 -41.28 9.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -144.36 171.31 14.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.85 -36.67 70.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.432 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -52.9 -69.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.5 m -44.56 -50.6 9.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.617 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -44.78 -69.79 0.69 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.426 ' HB3' HD13 ' A' ' 122' ' ' LEU . 0.5 OUTLIER -44.48 -34.58 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 110.266 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.514 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 1.9 mt-10 -64.26 -61.51 2.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.838 ' O ' HD12 ' A' ' 108' ' ' ILE . 85.2 m95 -55.16 -64.2 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.009 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.447 ' HG3' ' CD2' ' A' ' 82' ' ' PHE . 4.1 ttp180 -37.96 -57.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -58.03 -56.24 26.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.599 ' CE1' HG21 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -51.11 -42.28 60.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 0.791 . . . . 0.0 111.026 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.838 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.4 mp -65.54 -58.2 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 35.5 mt -46.17 -25.72 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.567 HG21 ' O ' ' A' ' 130' ' ' LEU . 82.0 m -81.17 -40.3 24.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.376 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.737 HG22 ' HA ' ' A' ' 108' ' ' ILE . 33.1 m -91.75 29.62 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.439 ' CG2' HD12 ' A' ' 63' ' ' ILE . 19.5 p -143.47 -48.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.441 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.17 -9.1 58.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 64.49 23.56 12.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.519 ' O ' HG23 ' A' ' 110' ' ' THR . 0.1 OUTLIER -141.9 -156.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.001 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 97.1 t -135.53 127.97 17.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 127.52 10.75 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.474 1.776 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -99.64 3.95 45.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -109.85 57.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.42 HG12 ' OE2' ' A' ' 102' ' ' GLU . 0.9 OUTLIER -123.74 -173.84 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.5 -0.18 8.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.471 ' HA ' HD12 ' A' ' 122' ' ' LEU . 0.3 OUTLIER -56.19 -176.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.561 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -110.12 -176.58 0.4 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.561 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.1 Cg_endo -75.06 -20.05 17.13 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.418 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -86.19 -19.91 56.23 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.454 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 8.4 mm-40 -95.22 -42.2 8.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.7 t -52.81 -46.33 51.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.418 HD12 ' HA2' ' A' ' 125' ' ' GLY . 48.4 mt -40.31 -50.78 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -47.01 -54.02 11.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.567 ' O ' HG21 ' A' ' 110' ' ' THR . 43.1 mt -50.35 -44.45 54.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -63.43 -51.9 63.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.624 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.57 -57.13 14.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.599 HG21 ' CE1' ' A' ' 107' ' ' PHE . 55.3 t -47.02 -43.31 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.463 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.7 tp -57.65 -69.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -45.22 -31.87 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.346 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.72 -51.34 65.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -72.31 -26.04 61.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.316 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.463 ' HG3' HD12 ' A' ' 134' ' ' LEU . 23.8 mttt -52.43 -54.61 29.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.23 -44.43 22.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.288 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 111.007 -0.421 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.718 HD13 ' C ' ' A' ' 18' ' ' LEU . 1.4 tm? -59.52 135.12 57.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.558 ' CD2' HG13 ' A' ' 133' ' ' VAL . 23.1 m-30 -115.18 -24.34 8.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -176.79 144.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 110.986 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.98 123.3 9.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.24 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.67 136.45 3.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -44.11 99.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.797 HD21 HD23 ' A' ' 93' ' ' LEU . 21.2 tp -106.68 148.31 28.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.772 HD22 ' HB3' ' A' ' 34' ' ' TYR . 11.2 mt -96.48 127.08 42.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.4 mm -114.45 134.85 56.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.772 ' HB3' HD22 ' A' ' 25' ' ' LEU . 48.6 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.503 0.192 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.633 ' C ' HD23 ' A' ' 25' ' ' LEU . 61.9 mm-40 -102.66 138.17 39.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.741 ' CD2' HD21 ' A' ' 25' ' ' LEU . 40.5 m80 -88.37 99.14 12.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.611 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 31.3 m-85 -121.79 138.81 54.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -65.81 87.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 80.4 m -82.61 137.52 34.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.391 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -128.99 130.76 47.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.437 HD22 ' HD2' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -90.91 117.16 29.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -140.64 128.56 21.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.32 -95.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 p -150.16 20.21 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 0.739 . . . . 0.0 110.408 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 61' ' ' LEU . 3.3 m -124.38 119.68 29.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.42 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.9 mt -73.52 113.52 10.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.365 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' A' ' 45' ' ' THR . 83.5 m-85 -101.58 122.28 43.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -102.33 142.49 33.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.544 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 73.4 m-85 -138.91 159.04 43.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.8 p -86.86 -31.51 20.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.391 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -164.5 170.12 16.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -62.96 -45.05 94.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -51.0 -51.08 56.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.8 m -44.34 124.78 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.5 mm -88.55 -50.09 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mp -82.75 140.51 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.544 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 55.1 p90 -78.49 126.48 30.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.05 -43.14 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.343 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.07 156.94 33.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -138.93 162.48 34.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.758 ' O ' HG23 ' A' ' 45' ' ' THR . 10.8 mt -140.58 176.22 8.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.991 ' OD1' HG12 ' A' ' 64' ' ' VAL . 13.5 t70 -141.11 126.85 19.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.606 HG22 HD21 ' A' ' 86' ' ' LEU . 39.7 pt -126.91 30.28 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.991 HG12 ' OD1' ' A' ' 62' ' ' ASP . 13.4 p -73.04 -32.09 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -94.79 18.51 11.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.625 HD13 HD12 ' A' ' 84' ' ' LEU . 5.3 tp -40.2 133.05 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.441 ' O ' ' CB ' ' A' ' 68' ' ' CYS . 1.2 m -91.2 -28.05 18.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.413 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 67' ' ' THR . 0.8 OUTLIER 164.44 -179.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 108.294 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.663 HD11 ' CD1' ' A' ' 82' ' ' PHE . 1.6 tt -145.05 136.03 24.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.424 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 15.3 t -131.71 -161.89 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.37 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.463 ' HA ' ' CA ' ' A' ' 98' ' ' THR . 31.2 p . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.752 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -92.26 126.94 37.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -133.07 115.17 14.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.663 ' CD1' HD11 ' A' ' 69' ' ' LEU . 5.9 p90 -139.45 157.17 46.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.0 m -114.28 120.63 41.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.433 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.625 HD12 HD13 ' A' ' 66' ' ' LEU . 3.1 mm? -72.01 105.2 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.2 t -79.64 118.1 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.922 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.3 mt -121.13 157.62 54.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.72 8.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -114.83 -58.81 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.922 ' O ' HD12 ' A' ' 86' ' ' LEU . 8.3 tt0 -156.68 149.06 23.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -87.24 145.02 26.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.4 t -125.27 141.39 45.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -101.92 136.52 41.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.797 HD23 HD21 ' A' ' 24' ' ' LEU . 6.0 mp -126.29 151.98 46.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -148.46 142.64 26.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.768 HG21 ' HA2' ' A' ' 101' ' ' GLY . 33.1 p -118.86 165.23 14.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.63 -50.48 20.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 110.266 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -123.65 136.28 54.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.463 ' CA ' ' HA ' ' A' ' 79' ' ' CYS . 8.5 t -38.49 -45.7 1.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -45.71 -66.44 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.1 t -40.82 -48.22 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.768 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -45.18 -59.32 4.62 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.41 -41.34 19.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.09 -65.83 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.896 ' O ' HD12 ' A' ' 108' ' ' ILE . 68.7 m95 -51.15 -65.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 108.045 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 104' ' ' TRP . 9.4 ttp180 -37.29 -66.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -48.21 -50.38 22.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.52 ' CE1' HG21 ' A' ' 133' ' ' VAL . 1.1 m-85 -57.47 -41.15 80.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.896 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.4 mp -64.89 -60.02 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.6 mt -45.44 -26.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.524 HG21 ' O ' ' A' ' 130' ' ' LEU . 99.0 m -79.84 -40.69 27.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.704 HG22 ' HA ' ' A' ' 108' ' ' ILE . 34.2 m -91.66 29.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 24.9 p -147.92 -45.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.409 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.36 -12.11 50.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 110.329 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 64.45 26.27 13.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.261 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 110' ' ' THR . 0.2 OUTLIER -144.49 -162.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.979 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 60.8 t -132.47 122.9 18.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.52 5.3 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.801 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -90.85 30.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -134.47 51.14 2.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.2 m -121.58 138.06 53.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -69.89 -9.83 56.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.444 ' HA ' HD12 ' A' ' 122' ' ' LEU . 0.4 OUTLIER -50.95 -179.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.752 ' O ' HG23 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -109.05 -175.73 0.36 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.579 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -75.02 -19.95 17.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.49 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -83.38 -22.85 55.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.413 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 6.9 mm100 -94.68 -43.48 8.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 123' ' ' LEU . 54.0 t -52.31 -43.9 41.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.49 HD12 ' HA2' ' A' ' 125' ' ' GLY . 30.0 mt -41.56 -50.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -44.54 -55.35 5.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.524 ' O ' HG21 ' A' ' 110' ' ' THR . 19.6 mt -48.23 -46.42 35.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -61.94 -46.3 89.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.598 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -64.15 -59.61 4.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.558 HG13 ' CD2' ' A' ' 19' ' ' TYR . 56.1 t -44.89 -44.22 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.521 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.6 tp -55.51 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -47.33 -35.08 7.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.35 -51.98 66.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 2.0 pt-20 -71.73 -26.26 62.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.521 ' HG3' HD12 ' A' ' 134' ' ' LEU . 19.0 mttm -52.58 -55.17 24.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.7 -50.36 13.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 110.96 -0.438 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.714 HD13 ' C ' ' A' ' 18' ' ' LEU . 1.4 tm? -56.49 135.87 54.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.528 ' N ' HD13 ' A' ' 18' ' ' LEU . 21.7 m-30 -114.07 -26.13 8.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -176.09 144.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.403 ' OE2' HD11 ' A' ' 18' ' ' LEU . 1.2 pm0 -143.52 140.13 30.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.97 125.31 0.85 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.423 ' CG ' ' NE2' ' A' ' 36' ' ' HIS . 7.4 m-85 -37.53 98.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 0.791 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.617 ' CD1' HG22 ' A' ' 95' ' ' THR . 20.3 tp -100.99 150.05 23.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.894 HD23 ' O ' ' A' ' 35' ' ' GLU . 5.9 mt -101.95 124.98 48.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.524 HG13 ' CE1' ' A' ' 48' ' ' PHE . 11.4 mm -112.88 137.33 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.524 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.563 ' HB3' HD22 ' A' ' 25' ' ' LEU . 50.6 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.493 0.187 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.894 ' O ' HD23 ' A' ' 25' ' ' LEU . 49.9 mm-40 -103.6 149.84 24.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.423 ' NE2' ' CG ' ' A' ' 23' ' ' PHE . 50.0 t-80 -97.02 103.55 15.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.578 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.501 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 48.3 m-85 -130.34 148.08 52.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' TYR . 74.4 t-105 -72.83 90.84 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.583 HG23 ' CD1' ' A' ' 48' ' ' PHE . 46.0 m -85.04 137.11 33.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.391 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -133.6 133.61 42.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.441 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.8 OUTLIER -90.88 116.37 28.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -134.89 127.02 29.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.09 -103.92 0.29 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 p -138.7 14.97 2.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 110.37 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.78 HG23 ' O ' ' A' ' 61' ' ' LEU . 1.5 m -123.99 125.2 44.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.2 mt -76.04 125.71 29.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.421 ' CD2' ' O ' ' A' ' 45' ' ' THR . 91.3 m-85 -114.31 120.01 38.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.583 ' CD1' HG23 ' A' ' 39' ' ' THR . 38.4 m-85 -101.17 137.57 39.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.439 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 75.9 m-85 -130.65 166.69 20.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.508 HG23 ' HB ' ' A' ' 58' ' ' VAL . 62.2 p -97.06 -31.63 12.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.443 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -159.44 175.16 13.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -79.94 -21.64 43.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -76.91 -18.89 58.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -75.72 135.77 40.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 110.037 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.4 mm -95.66 -47.12 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.4 mt -88.52 134.39 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.439 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 50.8 p90 -74.12 130.92 40.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.508 ' HB ' HG23 ' A' ' 50' ' ' THR . 12.0 p -53.06 -37.79 27.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -164.38 156.93 16.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -136.35 164.79 27.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.78 ' O ' HG23 ' A' ' 45' ' ' THR . 8.1 mt -136.36 178.62 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.33 133.62 28.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.736 HG22 HD21 ' A' ' 86' ' ' LEU . 5.2 pt -134.46 14.55 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.82 -31.18 50.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.89 11.82 36.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.598 ' HA ' HD23 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -41.52 127.02 3.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -77.21 -43.81 32.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -179.11 -178.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 108.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.7 HD11 ' CD1' ' A' ' 82' ' ' PHE . 2.2 tt -135.86 125.6 25.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.8 p -99.01 -168.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.694 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -124.71 121.07 33.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -134.16 115.48 14.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.7 ' CD1' HD11 ' A' ' 69' ' ' LEU . 8.9 p90 -140.39 153.05 46.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 91' ' ' VAL . 2.6 m -109.21 145.67 35.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.393 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.767 ' CD2' HD13 ' A' ' 93' ' ' LEU . 0.7 OUTLIER -92.27 116.16 28.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 28.9 t -92.58 121.85 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.957 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.3 mt -124.6 157.88 63.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.21 9.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -114.58 -55.99 2.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.957 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.9 tt0 -160.44 149.16 16.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -88.99 154.88 19.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.685 ' O ' HG23 ' A' ' 83' ' ' THR . 41.6 t -135.89 156.86 38.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -102.59 143.06 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.767 HD13 ' CD2' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -133.3 128.38 35.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.418 ' HE2' HD13 ' A' ' 25' ' ' LEU . 6.6 tttt -141.5 142.63 33.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.617 HG22 ' CD1' ' A' ' 24' ' ' LEU . 13.1 p -119.24 -159.23 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -96.33 -67.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -109.05 169.65 8.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.57 -40.49 97.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.372 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -48.4 -61.33 2.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -23.04 34.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.694 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -68.72 -62.96 3.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -53.2 -26.6 18.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.605 ' OE1' ' CD2' ' A' ' 107' ' ' PHE . 1.2 mm-40 -63.38 -69.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.85 ' O ' HD12 ' A' ' 108' ' ' ILE . 93.9 m95 -53.16 -56.74 14.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 108.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.538 ' NH1' ' CD2' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -41.28 -41.8 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.9 -57.09 3.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.565 1.166 . . . . 0.0 110.976 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.605 ' CD2' ' OE1' ' A' ' 103' ' ' GLU . 2.2 m-85 -46.21 -42.69 14.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.85 HD12 ' O ' ' A' ' 104' ' ' TRP . 2.0 mp -67.91 -59.01 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.4 mt -44.69 -26.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.656 HG21 ' O ' ' A' ' 130' ' ' LEU . 94.0 m -78.6 -42.17 29.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.37 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.664 HG22 ' HA ' ' A' ' 108' ' ' ILE . 33.8 m -91.59 30.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.445 ' CG2' HD12 ' A' ' 63' ' ' ILE . 30.2 p -149.26 -45.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.422 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -88.19 -6.99 57.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.5 mm? 57.93 23.83 10.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 110' ' ' THR . 3.6 t -139.18 -169.95 2.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 62.0 t -128.4 120.33 20.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 122.74 7.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.522 1.801 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.33 -11.62 34.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -93.22 64.44 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.1 m -132.48 166.66 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.84 -6.15 40.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.967 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.471 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.2 OUTLIER -55.36 -178.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.557 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -109.43 -176.34 0.39 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.01 -15.15 20.88 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.526 1.803 . . . . 0.0 110.959 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.786 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -91.23 -27.13 19.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.471 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 14.1 mm-40 -85.93 -35.24 20.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.9 t -60.49 -33.34 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.786 HD12 ' HA2' ' A' ' 125' ' ' GLY . 37.8 mt -49.16 -49.48 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.432 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 7.2 mmmm -46.62 -56.59 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.656 ' O ' HG21 ' A' ' 110' ' ' THR . 11.3 mt -47.59 -44.79 26.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -63.14 -54.75 32.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.598 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -58.3 -60.37 3.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.467 HG13 ' CG ' ' A' ' 19' ' ' TYR . 61.3 t -43.1 -45.88 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.578 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.3 tp -55.44 -70.85 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -46.65 -32.58 3.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -62.57 -44.5 96.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 4.0 pt-20 -80.14 -28.57 38.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.578 ' HG3' HD12 ' A' ' 134' ' ' LEU . 31.7 mttt -51.18 -41.32 60.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.43 -65.89 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.358 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.827 HD21 ' CD ' ' A' ' 21' ' ' GLU . 8.0 tp -73.28 142.02 47.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.443 ' CG ' HG13 ' A' ' 133' ' ' VAL . 20.7 m-85 -122.63 -52.09 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.6 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 2.9 t80 -144.2 159.48 42.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.827 ' CD ' HD21 ' A' ' 18' ' ' LEU . 5.1 pm0 -162.06 122.18 2.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.49 135.78 3.6 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -38.93 100.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.006 HD21 HD23 ' A' ' 93' ' ' LEU . 21.0 tp -106.98 154.24 21.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.961 HD21 ' CD2' ' A' ' 36' ' ' HIS . 9.2 mt -101.31 127.12 48.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.5 mm -114.88 130.06 69.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 1.1 ttmt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 61.4 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.472 0.177 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.544 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 55.5 mm-40 -102.23 132.85 47.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.961 ' CD2' HD21 ' A' ' 25' ' ' LEU . 32.5 m80 -81.77 107.96 14.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.544 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 24.7 m-85 -132.46 140.66 48.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' TYR . 74.0 t-105 -67.58 90.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 107.977 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 55.4 m -83.32 136.35 34.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -123.92 125.34 44.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 107' ' ' PHE . 0.4 OUTLIER -90.98 116.41 28.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' THR . 25.6 mtt180 -136.88 127.02 26.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.35 -91.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.429 1.081 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.565 ' HB ' HG12 ' A' ' 64' ' ' VAL . 1.4 p -148.5 45.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.4 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 78.0 m -146.16 117.04 7.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.421 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 19.0 mt -78.89 100.05 7.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -87.95 121.56 30.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.441 ' O ' HG12 ' A' ' 58' ' ' VAL . 15.9 m-85 -104.49 131.83 51.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.401 ' O ' ' N ' ' A' ' 38' ' ' TRP . 66.0 m-85 -128.43 159.39 35.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.6 p -74.68 -27.36 60.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.354 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -167.54 -70.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.405 ' C ' ' N ' ' A' ' 54' ' ' SER . 7.7 ttpt -172.2 -61.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.41 -31.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 52' ' ' LYS . 19.6 t -54.1 120.15 6.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -85.05 -55.19 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.0 mt -85.85 97.4 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -37.39 136.94 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 48' ' ' PHE . 8.9 p -58.43 -36.06 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -169.79 153.96 5.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 24.4 pttt -134.32 163.2 30.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.3 mt -146.5 175.48 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.8 149.7 40.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.717 HD12 ' CG2' ' A' ' 112' ' ' THR . 7.2 pt -129.67 17.32 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.565 HG12 ' HB ' ' A' ' 44' ' ' THR . 16.5 m -62.8 -31.9 53.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.19 12.07 37.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.621 HD22 ' HB ' ' A' ' 112' ' ' THR . 0.5 OUTLIER -41.86 129.9 3.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.501 ' HB ' HG12 ' A' ' 85' ' ' VAL . 1.1 m -86.82 -31.3 20.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 167.3 -179.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 108.276 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.54 144.03 51.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 10.5 p -114.28 164.86 13.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 110.266 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 76.6 m . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.441 ' HB3' ' OG1' ' A' ' 95' ' ' THR . . . -112.17 113.75 26.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -136.54 113.51 10.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.494 ' CB ' ' O ' ' A' ' 70' ' ' THR . 5.9 p90 -141.09 157.51 45.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.8 m -117.5 137.91 52.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.562 HD22 ' N ' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -86.38 109.32 18.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.501 HG12 ' HB ' ' A' ' 67' ' ' THR . 56.9 t -85.49 120.72 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 89' ' ' GLU . 2.2 mt -125.5 156.71 70.09 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 0.57 8.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -113.11 -58.07 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.76 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.7 tt0 -156.69 150.07 24.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -89.46 136.13 33.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.6 t -117.75 138.77 47.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -100.85 138.47 37.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 1.006 HD23 HD21 ' A' ' 24' ' ' LEU . 5.4 mp -126.71 160.75 29.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.773 ' NZ ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -152.24 135.18 15.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.675 HG22 ' CD1' ' A' ' 24' ' ' LEU . 69.7 p -119.35 -36.53 3.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 95' ' ' THR . 4.7 mt-10 77.85 -53.91 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -82.55 131.53 35.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 m -59.77 -48.5 81.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -46.97 -68.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.84 -41.8 78.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.048 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.514 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -52.35 -62.76 5.46 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' A' ' 121' ' ' SER . 0.7 OUTLIER -57.25 -31.66 65.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.6 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 3.7 mt-10 -60.45 -68.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.517 ' HE3' HD11 ' A' ' 108' ' ' ILE . 88.1 m95 -48.59 -64.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 108.032 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -39.34 -36.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.91 -56.22 4.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.667 ' CE2' HG21 ' A' ' 133' ' ' VAL . 10.3 m-85 -53.1 -39.4 63.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.784 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.634 ' HA ' HG22 ' A' ' 111' ' ' VAL . 1.5 mp -70.65 -59.89 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 43.4 mt -44.51 -25.98 0.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.522 HG21 ' O ' ' A' ' 130' ' ' LEU . 90.2 m -79.74 -41.73 26.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.376 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.634 HG22 ' HA ' ' A' ' 108' ' ' ILE . 31.0 m -90.65 29.29 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.717 ' CG2' HD12 ' A' ' 63' ' ' ILE . 18.0 p -146.51 -44.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.81 -15.57 44.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 68.7 29.04 5.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.521 ' O ' HG23 ' A' ' 110' ' ' THR . 0.1 OUTLIER -154.54 -160.5 1.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.404 HG23 HD23 ' A' ' 134' ' ' LEU . 86.0 t -128.0 127.09 23.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 130.04 12.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.771 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -93.8 -14.6 26.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -89.31 59.93 5.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 1.4 m -128.84 147.13 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.416 ' N ' ' OE1' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -86.9 -8.64 57.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.064 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -51.86 -179.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.704 ' O ' HG23 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -108.74 -175.95 0.38 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.2 Cg_endo -75.05 -16.0 20.32 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.528 1.804 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.7 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -86.94 -29.17 23.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.425 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 5.7 mm100 -86.63 -40.05 15.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 123' ' ' LEU . 48.1 t -54.4 -39.09 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.7 HD12 ' HA2' ' A' ' 125' ' ' GLY . 28.1 mt -42.86 -48.97 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.663 ' O ' HG23 ' A' ' 133' ' ' VAL . 5.7 mmmm -52.23 -45.56 65.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.522 ' O ' HG21 ' A' ' 110' ' ' THR . 45.5 mt -60.53 -35.01 74.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -75.7 -54.05 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.643 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.42 ' OE2' ' CG2' ' A' ' 128' ' ' ILE . 44.4 mt-10 -59.83 -48.64 80.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.667 HG21 ' CE2' ' A' ' 107' ' ' PHE . 54.3 t -53.6 -41.45 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.566 HD11 ' HE3' ' A' ' 138' ' ' LYS . 3.3 tp -60.02 -67.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -51.08 -23.01 2.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 3.6 mmt180 -71.15 -52.87 16.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.478 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 1.0 OUTLIER -71.3 -27.84 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.566 ' HE3' HD11 ' A' ' 134' ' ' LEU . 30.8 mttt -55.41 -41.82 73.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -65.85 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 9.6 mtp85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 110.978 -0.432 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.727 HD13 ' C ' ' A' ' 18' ' ' LEU . 1.4 tm? -65.17 136.05 56.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.889 ' CG ' HG13 ' A' ' 133' ' ' VAL . 19.4 m-85 -113.21 -26.88 8.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.471 ' HB2' ' CE2' ' A' ' 107' ' ' PHE . 11.3 t80 -177.08 148.6 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 1.4 pt-20 -145.68 129.52 17.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.62 148.9 11.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.6 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 5.0 m-85 -58.19 99.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.709 HD21 ' CD2' ' A' ' 93' ' ' LEU . 15.2 tp -99.87 149.5 23.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.63 HD23 ' O ' ' A' ' 35' ' ' GLU . 11.0 mt -101.71 121.06 41.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.569 HG13 ' CE1' ' A' ' 48' ' ' PHE . 12.6 mm -110.05 139.31 33.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.562 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 3.8 tttt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.562 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 43.1 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.439 0.161 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.63 ' O ' HD23 ' A' ' 25' ' ' LEU . 63.7 mm-40 -107.95 146.73 32.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 110.325 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.6 ' CE1' ' HB3' ' A' ' 23' ' ' PHE . 17.3 t60 -94.43 115.97 28.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.561 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 32.5 m-85 -142.88 145.88 33.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.526 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 66.1 t-105 -73.45 85.14 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 107.977 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.6 m -81.71 136.73 35.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.428 1.08 . . . . 0.0 110.381 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.449 ' HG2' ' CB ' ' A' ' 21' ' ' GLU . 46.3 mt-10 -128.35 131.13 48.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.2 OUTLIER -90.7 116.4 28.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.459 ' HB2' ' CD2' ' A' ' 47' ' ' PHE . 8.6 mtt180 -136.57 127.89 28.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.4 -101.15 0.11 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -140.93 13.81 2.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 110.403 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 61' ' ' LEU . 2.8 m -119.32 129.48 54.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.417 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.1 mt -79.86 117.58 20.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.459 ' CD2' ' HB2' ' A' ' 42' ' ' ARG . 76.0 m-85 -103.95 120.46 41.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.569 ' CE1' HG13 ' A' ' 26' ' ' ILE . 75.3 m-85 -103.63 144.0 32.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -133.92 146.43 50.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.766 HG23 ' HB ' ' A' ' 58' ' ' VAL . 2.1 p -73.62 -32.39 64.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.381 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -176.32 164.24 2.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -50.54 -46.57 57.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -44.56 -42.99 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -58.12 133.61 55.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.0 pp -110.02 -35.95 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.69 HG22 ' HD1' ' A' ' 57' ' ' TYR . 46.6 mm -74.18 -106.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.69 ' HD1' HG22 ' A' ' 56' ' ' ILE . 0.2 OUTLIER 179.22 147.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.766 ' HB ' HG23 ' A' ' 50' ' ' THR . 7.8 p -86.06 -34.79 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.59 179.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -161.27 167.58 25.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.545 ' O ' HG23 ' A' ' 45' ' ' THR . 53.0 mt -140.81 178.15 7.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.465 ' CG ' HG12 ' A' ' 64' ' ' VAL . 17.8 t0 -129.98 127.82 40.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.349 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.459 HD12 HG23 ' A' ' 108' ' ' ILE . 5.0 pt -126.86 21.34 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.465 HG12 ' CG ' ' A' ' 62' ' ' ASP . 11.7 p -76.01 -33.27 24.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.14 14.09 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.592 ' HA ' HD23 ' A' ' 86' ' ' LEU . 2.8 tp -41.12 127.74 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -83.87 -28.98 27.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 166.8 -177.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 108.363 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.509 HD12 HD13 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -132.83 130.3 39.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.103 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.6 p -103.3 171.6 7.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.435 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 63.2 m . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.403 ' CB ' ' HA3' ' A' ' 101' ' ' GLY . . . -88.93 115.95 26.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -133.96 118.5 17.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 93' ' ' LEU . 7.8 p90 -147.22 151.39 36.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 91' ' ' VAL . 2.5 m -109.66 143.63 39.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.407 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.586 HD22 ' N ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -90.6 113.14 25.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.5 t -90.96 112.86 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 89' ' ' GLU . 3.8 mt -119.17 156.18 52.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.74 8.55 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.488 1.783 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -113.07 -58.49 2.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.668 ' O ' HD12 ' A' ' 86' ' ' LEU . 8.3 tt0 -155.87 149.69 25.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -92.81 145.06 24.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.587 ' O ' HG23 ' A' ' 83' ' ' THR . 86.8 t -130.12 156.72 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.365 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -108.49 141.93 39.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.345 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.709 ' CD2' HD21 ' A' ' 24' ' ' LEU . 1.3 mp -132.46 139.93 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.46 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -147.14 143.96 28.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.476 HG22 ' CD1' ' A' ' 24' ' ' LEU . 12.4 p -120.27 170.58 9.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -117.45 36.51 4.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -176.75 124.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -45.5 -40.14 8.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -60.59 -61.88 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.5 m -42.94 -43.41 4.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.403 ' HA3' ' CB ' ' A' ' 80' ' ' ALA . . . -51.87 -68.77 1.39 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -54.53 -30.62 54.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 110.306 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.2 -67.38 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.913 ' O ' HD12 ' A' ' 108' ' ' ILE . 72.9 m95 -58.3 -60.84 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -38.93 -52.09 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.62 -53.18 29.47 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.099 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.557 ' CE1' HG21 ' A' ' 133' ' ' VAL . 0.3 OUTLIER -51.23 -41.83 60.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 111.008 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.913 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.9 mp -66.39 -60.23 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.4 mt -45.61 -25.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.507 HG21 ' O ' ' A' ' 130' ' ' LEU . 80.6 m -80.32 -40.56 26.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.628 HG22 ' HA ' ' A' ' 108' ' ' ILE . 28.3 m -92.27 28.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.4 p -146.6 -45.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.74 -16.12 39.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 69.69 25.8 5.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.501 ' O ' HG23 ' A' ' 110' ' ' THR . 1.1 t -144.86 -160.17 1.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 66.9 t -134.35 122.8 16.17 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 124.51 8.69 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -85.85 -11.98 51.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -91.01 64.14 5.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 15.6 m -134.89 139.22 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -4.73 51.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.465 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.6 OUTLIER -52.68 179.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.564 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -106.7 -176.29 0.41 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.564 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.96 -21.52 15.85 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.528 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -84.66 -19.95 59.07 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.465 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 6.2 mm100 -96.05 -41.52 8.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 123' ' ' LEU . 25.3 t -55.03 -41.29 58.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.528 HD12 ' HA2' ' A' ' 125' ' ' GLY . 33.6 mt -44.93 -50.77 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -43.2 -58.84 2.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.538 HD22 ' HA ' ' A' ' 107' ' ' PHE . 16.0 mt -46.27 -44.95 16.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -61.62 -55.29 32.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.581 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -58.99 -60.55 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.17 . . . . 0.0 110.312 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.889 HG13 ' CG ' ' A' ' 19' ' ' TYR . 95.4 t -46.21 -48.58 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.641 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.5 OUTLIER -44.26 -67.91 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -46.34 -52.96 11.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 136' ' ' ARG . 1.1 mpt_? -44.94 -35.57 2.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 138' ' ' LYS . 5.4 tp10 -81.89 -48.74 11.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.52 ' HE3' HD11 ' A' ' 134' ' ' LEU . 51.9 mttt -38.86 -33.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 137' ' ' GLU . 0.0 OUTLIER -67.29 -69.47 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 110.965 -0.437 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.616 HD21 ' OE2' ' A' ' 21' ' ' GLU . 13.6 tp -73.74 150.45 41.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.617 ' CG ' HG13 ' A' ' 133' ' ' VAL . 21.6 m-85 -127.75 -50.32 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.595 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 16.2 t80 -149.06 154.14 38.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.616 ' OE2' HD21 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -147.52 151.24 36.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.65 141.75 3.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -51.93 105.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.746 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.716 HD21 ' CD2' ' A' ' 93' ' ' LEU . 21.9 tp -106.72 160.34 15.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.726 HD23 ' C ' ' A' ' 35' ' ' GLU . 7.0 mt -114.69 121.2 42.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 mm -110.99 129.37 66.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.562 ' HB3' HD22 ' A' ' 25' ' ' LEU . 71.4 m-85 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.488 0.185 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.726 ' C ' HD23 ' A' ' 25' ' ' LEU . 21.7 mm-40 -107.65 140.6 40.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.449 ' CD2' HD21 ' A' ' 25' ' ' LEU . 31.3 m80 -80.98 124.29 29.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.581 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 40.0 m-85 -144.87 135.78 24.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' TYR . 74.9 t-105 -63.69 86.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 107.985 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.468 HG23 ' CD1' ' A' ' 48' ' ' PHE . 65.6 m -81.65 130.67 35.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.405 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -122.41 127.85 50.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.02 118.75 30.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.577 ' HG2' HD12 ' A' ' 18' ' ' LEU . 22.2 mtm180 -140.18 127.45 21.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.18 -96.58 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 p -147.36 22.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 0.789 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.7 m -124.92 121.04 33.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.8 mt -76.79 114.64 15.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -106.39 118.78 37.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.468 ' CD1' HG23 ' A' ' 39' ' ' THR . 8.9 m-85 -103.11 139.37 38.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.521 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 69.5 m-85 -133.83 159.13 41.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.8 p -85.8 -32.25 21.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 110.357 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -166.6 154.03 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -58.48 -23.81 58.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -67.97 -30.06 69.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -73.36 135.31 44.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -90.18 -42.42 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.6 mp -89.37 147.51 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 50.6 p90 -87.1 125.04 33.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.8 p -48.42 -44.43 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.3 156.12 30.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.481 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 7.2 pttt -136.74 160.93 37.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.525 ' CD1' HG11 ' A' ' 91' ' ' VAL . 4.9 mt -130.87 -179.52 5.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -146.52 125.35 12.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.783 HD12 HG23 ' A' ' 108' ' ' ILE . 16.1 pt -125.79 17.51 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.3 p -61.85 -40.57 87.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.26 16.54 11.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.58 HD13 HD12 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -45.44 129.1 8.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.523 ' HB ' HG12 ' A' ' 85' ' ' VAL . 1.0 OUTLIER -82.25 -33.48 29.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.441 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.11 -172.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 108.297 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.681 HD12 HD13 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -138.04 130.04 28.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.475 ' OG1' ' N ' ' A' ' 71' ' ' GLU . 1.9 t -117.69 179.56 4.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.475 ' N ' ' OG1' ' A' ' 70' ' ' THR . 23.2 mt-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.6 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.753 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -88.71 114.32 25.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -122.02 115.2 22.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.613 ' CD1' HD11 ' A' ' 69' ' ' LEU . 10.6 p90 -140.26 155.69 46.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 91' ' ' VAL . 1.5 m -114.55 137.31 52.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.421 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.681 HD13 HD12 ' A' ' 69' ' ' LEU . 1.3 mm? -84.26 110.11 18.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.523 HG12 ' HB ' ' A' ' 67' ' ' THR . 43.1 t -82.61 121.91 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.944 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.1 mt -125.33 156.56 69.87 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.88 8.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -114.36 -57.46 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.944 ' O ' HD12 ' A' ' 86' ' ' LEU . 3.9 tt0 -158.8 149.96 20.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.91 145.72 25.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.525 HG11 ' CD1' ' A' ' 61' ' ' LEU . 74.0 t -126.35 146.54 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -97.04 131.84 43.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.716 ' CD2' HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -125.69 121.67 34.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -125.96 149.71 48.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.668 HG21 ' HA2' ' A' ' 101' ' ' GLY . 48.4 p -122.77 159.79 27.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.54 -60.68 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -106.08 -170.36 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 t -89.96 -42.31 11.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -50.85 -67.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.2 p -47.99 -27.23 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.753 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -55.81 -56.72 22.44 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.413 1.071 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -35.79 81.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.763 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.595 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 2.2 tt0 -47.74 -60.24 2.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.842 ' O ' HD12 ' A' ' 108' ' ' ILE . 77.6 m95 -60.52 -64.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.433 ' CG ' HD22 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -37.44 -53.94 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -58.56 -56.56 24.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.726 ' HA ' HD22 ' A' ' 130' ' ' LEU . 1.0 OUTLIER -55.03 -40.91 70.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 111.02 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.842 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.5 mp -65.05 -57.88 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.4 mt -45.13 -27.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 115' ' ' SER . 89.5 m -78.98 -42.02 27.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.413 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.714 HG22 ' HA ' ' A' ' 108' ' ' ILE . 33.6 m -90.64 30.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 25.4 p -146.09 -45.36 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.54 -16.12 33.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 70.43 23.51 4.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 110' ' ' THR . 1.5 t -141.62 -164.98 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.549 HG13 ' HB2' ' A' ' 130' ' ' LEU . 50.4 t -131.06 124.94 20.87 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.03 4.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.793 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -92.23 -19.04 22.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -89.81 16.52 7.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.551 HG22 ' H ' ' A' ' 121' ' ' SER . 0.5 OUTLIER -71.91 -170.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.551 ' H ' HG22 ' A' ' 120' ' ' VAL . 0.2 OUTLIER -117.19 -30.7 5.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.052 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.519 ' HA ' HD12 ' A' ' 122' ' ' LEU . 1.4 tp -40.66 159.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.601 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.3 mm? -65.23 169.58 5.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.601 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -74.99 -7.57 19.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.767 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -97.07 -35.13 5.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -72.76 -41.55 64.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.2 t -51.2 -34.2 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.767 HD12 ' HA2' ' A' ' 125' ' ' GLY . 29.3 mt -50.1 -47.18 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -45.08 -55.47 5.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.726 HD22 ' HA ' ' A' ' 107' ' ' PHE . 7.8 mt -46.75 -44.73 19.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -59.48 -43.81 93.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.611 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -71.25 -53.79 13.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.617 HG13 ' CG ' ' A' ' 19' ' ' TYR . 43.8 t -51.49 -38.82 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.516 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.2 tp -60.29 -72.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -41.04 -30.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -52.44 57.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.558 ' CB ' ' NH2' ' A' ' 140' ' ' ARG . 1.4 pt-20 -71.43 -28.1 63.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.516 ' HG3' HD12 ' A' ' 134' ' ' LEU . 13.5 mttm -53.39 -45.67 69.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -55.96 -37.11 68.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.558 ' NH2' ' CB ' ' A' ' 137' ' ' GLU . 31.6 mtm105 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.453 ' CG ' ' HD2' ' A' ' 136' ' ' ARG . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.742 HD13 ' C ' ' A' ' 18' ' ' LEU . 1.1 tm? -60.63 135.12 57.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.903 ' CD2' HG13 ' A' ' 133' ' ' VAL . 19.3 m-30 -108.68 -29.46 8.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.533 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 12.9 t80 -179.0 151.55 0.52 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -141.92 167.07 23.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.06 140.3 3.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.125 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -54.22 98.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.576 HD21 ' CD2' ' A' ' 93' ' ' LEU . 12.0 tp -100.07 157.95 16.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.785 HD23 ' C ' ' A' ' 35' ' ' GLU . 8.5 mt -111.06 117.13 32.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.558 HG13 ' CE1' ' A' ' 48' ' ' PHE . 17.3 mm -105.17 125.41 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.557 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 2.2 ttmt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.742 ' HB3' HD22 ' A' ' 25' ' ' LEU . 61.6 m-85 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.453 0.168 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.785 ' C ' HD23 ' A' ' 25' ' ' LEU . 56.0 mm-40 -105.47 140.67 38.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.711 ' CE1' HD21 ' A' ' 25' ' ' LEU . 77.0 m80 -88.74 110.73 21.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.578 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 37.1 m-85 -131.82 137.15 47.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' TYR . 76.1 t-105 -62.61 85.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.0 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.526 HG23 ' CD1' ' A' ' 48' ' ' PHE . 90.1 m -83.48 130.01 35.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -122.48 133.34 54.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.4 OUTLIER -90.96 116.35 28.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -132.33 127.25 35.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.438 ' HA2' ' CE2' ' A' ' 19' ' ' TYR . . . 50.0 -100.9 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 p -137.53 15.21 2.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 110.344 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 61' ' ' LEU . 6.2 m -122.0 128.27 51.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.3 mt -82.22 130.67 35.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -120.39 119.96 34.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.558 ' CE1' HG13 ' A' ' 26' ' ' ILE . 22.3 m-85 -100.7 135.22 42.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.054 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.476 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 68.2 m-85 -130.43 151.57 50.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.954 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.422 ' CG2' ' HB ' ' A' ' 58' ' ' VAL . 13.1 p -84.14 -31.98 24.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -157.29 165.44 35.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -64.83 -33.87 77.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.33 -43.23 95.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.6 m -47.05 129.69 12.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -98.26 -43.26 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.5 mm -91.63 108.0 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.476 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 50.8 p90 -50.53 131.0 24.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.422 ' HB ' ' CG2' ' A' ' 50' ' ' THR . 12.4 p -51.65 -38.31 21.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -167.34 155.55 9.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.417 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 5.5 pttt -132.29 159.73 38.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 61' ' ' LEU . 4.7 mt -128.61 175.29 8.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.727 ' OD2' HG12 ' A' ' 64' ' ' VAL . 24.2 t70 -137.22 127.67 26.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.605 HG22 HD21 ' A' ' 86' ' ' LEU . 13.9 pt -132.61 24.21 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.727 HG12 ' OD2' ' A' ' 62' ' ' ASP . 8.9 p -73.26 -31.7 35.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.72 17.6 20.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.586 ' HA ' HD23 ' A' ' 86' ' ' LEU . 1.7 tp -44.16 128.38 5.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -81.77 -35.42 29.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 174.51 -179.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 108.278 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -128.35 126.98 41.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.8 p -103.73 172.32 6.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.402 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.264 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 36.7 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -105.37 117.47 34.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -134.35 113.84 12.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.479 ' CE1' ' HB3' ' A' ' 93' ' ' LEU . 7.6 p90 -139.91 149.39 43.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 91' ' ' VAL . 5.0 m -107.52 139.5 41.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.528 HD12 HD13 ' A' ' 66' ' ' LEU . 1.2 mm? -84.89 106.64 16.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.1 t -83.54 112.19 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 89' ' ' GLU . 4.3 mt -116.48 157.57 45.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -0.51 10.06 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.427 1.751 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -112.72 -58.92 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.662 ' O ' HD12 ' A' ' 86' ' ' LEU . 5.2 tt0 -154.85 148.47 25.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -88.76 139.01 30.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.643 ' O ' HG23 ' A' ' 83' ' ' THR . 73.7 t -122.47 154.39 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -105.41 143.46 33.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.576 ' CD2' HD21 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -134.22 130.67 37.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.436 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 5.6 ttpt -134.15 143.18 47.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.502 HG22 HD11 ' A' ' 24' ' ' LEU . 34.4 p -112.73 -166.14 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 110.421 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -112.96 -56.82 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -103.18 175.41 5.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 99.9 m -69.83 -53.06 19.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.531 ' HG3' HD11 ' A' ' 122' ' ' LEU . 31.1 tt0 -46.49 -62.74 1.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -39.09 -35.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.944 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.92 -67.95 1.91 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -55.97 -28.83 58.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.341 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.533 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 1.5 mt-10 -59.84 -63.01 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.821 ' O ' HD12 ' A' ' 108' ' ' ILE . 90.9 m95 -63.69 -61.39 2.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 107.98 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 104' ' ' TRP . 9.0 ttp180 -38.36 -50.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.05 -52.2 34.17 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.575 ' CE1' HG21 ' A' ' 133' ' ' VAL . 1.0 OUTLIER -54.08 -44.44 71.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 0.717 . . . . 0.0 110.994 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.821 HD12 ' O ' ' A' ' 104' ' ' TRP . 2.3 mp -65.44 -52.86 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 109' ' ' LEU . 20.0 mt -52.32 -21.4 3.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.58 HG21 ' O ' ' A' ' 130' ' ' LEU . 53.3 m -86.34 -38.54 17.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.755 HG22 ' HA ' ' A' ' 108' ' ' ILE . 27.7 m -91.47 22.79 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 108' ' ' ILE . 41.1 p -136.88 -46.41 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.421 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -87.12 -4.12 59.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 58.74 22.8 10.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 110' ' ' THR . 1.9 t -138.92 -160.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.953 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.416 HG23 HD23 ' A' ' 134' ' ' LEU . 61.6 t -135.29 119.07 13.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 124.73 8.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -94.37 15.29 17.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -106.7 27.81 8.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.499 HG21 HG22 ' A' ' 127' ' ' VAL . 21.7 m -102.77 129.86 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -10.37 59.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 122' ' ' LEU . 1.6 tp -44.82 160.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.624 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.0 OUTLIER -65.13 169.2 6.03 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.624 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.97 -8.19 19.87 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.759 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -96.63 -33.29 6.2 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -75.13 -41.85 57.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.418 0.717 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.499 HG22 HG21 ' A' ' 120' ' ' VAL . 2.2 t -51.38 -35.04 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.759 HD12 ' HA2' ' A' ' 125' ' ' GLY . 35.5 mt -52.13 -48.14 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.407 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 5.0 mmmm -42.55 -50.73 5.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.58 ' O ' HG21 ' A' ' 110' ' ' THR . 17.9 mt -52.24 -43.62 64.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 128' ' ' ILE . 2.0 m-70 -64.09 -47.3 80.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.651 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -63.82 -57.43 9.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.155 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.903 HG13 ' CD2' ' A' ' 19' ' ' TYR . 53.6 t -47.29 -45.21 9.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.479 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.5 tp -54.93 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.17 -35.54 3.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.453 ' HD2' ' CG ' ' A' ' 17' ' ' PRO . 2.5 mmt180 -60.85 -53.17 60.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 1.7 pt-20 -70.47 -26.49 63.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.479 ' HG3' HD12 ' A' ' 134' ' ' LEU . 36.9 mttt -52.86 -54.13 38.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -47.31 -48.46 25.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.675 HD21 ' OE1' ' A' ' 21' ' ' GLU . 14.2 tp -64.2 141.97 58.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.712 ' CD2' HG13 ' A' ' 133' ' ' VAL . 22.6 m-30 -117.82 -36.68 3.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.58 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 11.5 t80 -163.65 152.21 13.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.675 ' OE1' HD21 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -144.23 149.95 37.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.98 136.99 2.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -50.59 110.04 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.609 HD21 ' CD2' ' A' ' 93' ' ' LEU . 15.6 tp -109.92 149.26 30.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.038 HD23 ' O ' ' A' ' 35' ' ' GLU . 7.1 mt -102.61 128.54 49.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.8 mm -118.04 132.17 68.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 1.3 tttm . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.571 ' CE2' ' HE2' ' A' ' 94' ' ' LYS . 66.2 m-85 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.503 0.192 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 1.038 ' O ' HD23 ' A' ' 25' ' ' LEU . 4.3 mt-10 -98.79 158.93 15.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.794 ' CE1' HD21 ' A' ' 25' ' ' LEU . 70.0 m80 -106.81 106.96 17.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.639 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -127.29 139.58 52.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' TYR . 76.0 t-105 -62.51 89.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.771 HG23 ' CD1' ' A' ' 48' ' ' PHE . 25.3 m -82.12 122.97 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -118.32 127.33 53.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.23 116.97 29.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -134.75 127.19 30.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.57 -101.13 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 p -140.18 16.96 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.531 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 3.3 m -121.82 118.31 28.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.421 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.8 mt -73.33 126.86 31.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.531 ' CD2' ' O ' ' A' ' 45' ' ' THR . 96.5 m-85 -117.4 125.71 51.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.771 ' CD1' HG23 ' A' ' 39' ' ' THR . 7.8 m-85 -109.93 127.02 54.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' TRP . 75.5 m-85 -122.3 166.24 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.1 p -77.07 -51.4 11.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.386 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -141.13 -67.75 0.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' LYS . 10.9 tttm -172.32 -62.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' LYS . 18.5 mmmt -40.24 -36.23 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 t -45.05 119.59 2.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.406 ' HB ' HD12 ' A' ' 56' ' ' ILE . 1.6 mp -84.55 -55.33 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.406 HD12 ' HB ' ' A' ' 55' ' ' ILE . 5.0 mp -89.44 95.18 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.499 ' CZ ' ' HD3' ' A' ' 60' ' ' LYS . 34.7 p90 -37.49 135.52 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.5 p -51.9 -33.18 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.354 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -174.55 156.72 2.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.499 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 41.9 pttt -133.84 163.95 28.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.538 HD11 HG11 ' A' ' 91' ' ' VAL . 3.7 mt -128.36 -176.77 3.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.405 ' OD2' HG12 ' A' ' 64' ' ' VAL . 20.0 t70 -143.6 125.17 14.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.529 ' O ' HG22 ' A' ' 112' ' ' THR . 5.9 pt -133.37 24.5 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.405 HG12 ' OD2' ' A' ' 62' ' ' ASP . 9.6 p -74.74 -38.03 43.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.72 19.99 12.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.246 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.646 ' HA ' HD23 ' A' ' 86' ' ' LEU . 5.5 tp -40.41 133.32 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.68 -39.94 21.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 175.85 -178.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.318 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.476 ' CD2' ' OE2' ' A' ' 71' ' ' GLU . 0.8 OUTLIER -131.68 133.04 44.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 5.7 p -112.2 148.03 34.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.476 ' OE2' ' CD2' ' A' ' 69' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.435 ' CB ' ' HA3' ' A' ' 101' ' ' GLY . . . -120.17 113.38 20.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -136.12 116.57 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.493 ' CB ' ' O ' ' A' ' 70' ' ' THR . 2.9 p90 -139.6 156.61 46.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 25.1 m -104.58 135.47 45.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.432 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.654 HD23 HD13 ' A' ' 93' ' ' LEU . 0.7 OUTLIER -89.26 96.49 10.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.5 t -75.89 123.84 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.646 HD23 ' HA ' ' A' ' 66' ' ' LEU . 2.7 mt -126.28 157.74 69.1 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.84 8.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.766 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -113.27 -56.28 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.644 ' O ' HD12 ' A' ' 86' ' ' LEU . 8.7 tt0 -159.0 154.12 25.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 12.0 mt-10 -91.69 146.14 24.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.346 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.538 HG11 HD11 ' A' ' 61' ' ' LEU . 75.7 t -132.64 149.0 31.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -103.17 142.27 34.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.654 HD13 HD23 ' A' ' 84' ' ' LEU . 2.9 mp -125.73 161.95 26.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.571 ' HE2' ' CE2' ' A' ' 34' ' ' TYR . 1.9 ttmm -154.21 137.6 15.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.408 HG22 ' CD1' ' A' ' 24' ' ' LEU . 40.3 p -126.87 -42.73 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.403 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.469 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 2.6 mm-40 65.18 49.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 174.23 117.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 m -44.98 -54.54 6.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.415 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -48.7 -73.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.3 m -42.06 -50.11 4.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.435 ' HA3' ' CB ' ' A' ' 80' ' ' ALA . . . -54.6 -69.95 1.1 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.645 ' OE2' HG12 ' A' ' 120' ' ' VAL . 1.4 mm-40 -39.8 -43.01 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.35 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.58 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 4.7 mt-10 -54.48 -69.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.83 ' O ' HD12 ' A' ' 108' ' ' ILE . 87.4 m95 -51.22 -62.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 108.021 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -38.07 -48.29 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -69.09 -60.88 4.91 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.12 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.417 ' CE1' ' HB3' ' A' ' 129' ' ' LYS . 6.2 m-85 -46.74 -42.88 17.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.6 mp -65.36 -61.21 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 47.8 mt -44.66 -26.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.247 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.721 HG21 ' O ' ' A' ' 130' ' ' LEU . 97.1 m -80.51 -40.82 25.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.379 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.723 HG22 ' HA ' ' A' ' 108' ' ' ILE . 32.8 m -91.61 28.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 63' ' ' ILE . 21.4 p -144.8 -46.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -85.47 -9.95 56.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 63.56 22.14 13.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.459 ' HA ' HD22 ' A' ' 134' ' ' LEU . 0.7 OUTLIER -141.94 -160.89 1.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.99 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 48.5 t -133.92 123.14 16.86 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 119.59 5.72 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -90.42 25.66 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -123.79 38.83 4.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.645 HG12 ' OE2' ' A' ' 102' ' ' GLU . 4.3 m -111.03 138.43 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.95 -5.58 59.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 122' ' ' LEU . 1.9 tp -50.45 161.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.617 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.2 mm? -64.97 169.3 5.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.617 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.2 Cg_endo -75.03 -7.93 19.58 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.819 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -97.04 -34.22 5.74 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 110.945 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -74.78 -36.92 62.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 0.733 . . . . 0.0 110.28 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.93 -30.22 37.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.819 HD12 ' HA2' ' A' ' 125' ' ' GLY . 38.4 mt -54.99 -48.41 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.417 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 6.8 mmmm -43.94 -53.0 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.721 ' O ' HG21 ' A' ' 110' ' ' THR . 13.4 mt -49.81 -42.99 48.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -65.0 -51.65 60.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.583 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -61.05 -59.91 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.258 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.712 HG13 ' CD2' ' A' ' 19' ' ' TYR . 55.7 t -42.32 -46.17 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.571 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.6 tp -52.81 -68.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.08 -36.74 13.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -59.62 -50.69 72.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 3.3 pt-20 -73.23 -27.86 61.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.571 ' HG3' HD12 ' A' ' 134' ' ' LEU . 16.1 mttm -50.62 -50.66 53.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -48.89 -38.29 22.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.348 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.843 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.941 HD21 ' CD ' ' A' ' 21' ' ' GLU . 16.3 tp -57.2 143.23 39.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -123.72 -42.05 2.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.574 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 4.1 t80 -159.41 153.35 23.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.941 ' CD ' HD21 ' A' ' 18' ' ' LEU . 15.2 pm0 -157.14 143.84 18.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.44 142.92 3.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -41.65 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.746 . . . . 0.0 110.982 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.452 ' CD1' HG22 ' A' ' 95' ' ' THR . 19.5 tp -109.77 150.01 28.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.754 HD23 ' O ' ' A' ' 35' ' ' GLU . 12.7 mt -102.44 127.97 49.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.9 mm -116.12 126.98 73.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.658 ' HB3' HD22 ' A' ' 25' ' ' LEU . 56.4 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.467 0.175 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.754 ' O ' HD23 ' A' ' 25' ' ' LEU . 46.4 mm-40 -104.13 144.68 31.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.682 ' CD2' HD21 ' A' ' 25' ' ' LEU . 48.6 m80 -91.17 111.5 23.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.49 ' HE1' HG22 ' A' ' 50' ' ' THR . 34.4 m-85 -131.41 136.85 48.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.426 ' N ' ' O ' ' A' ' 49' ' ' TYR . 73.5 t-105 -65.68 95.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 107.982 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.1 m -88.7 142.02 28.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 110.394 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -132.28 127.65 36.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.01 125.8 35.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 44' ' ' THR . 24.3 mtt180 -146.12 127.65 15.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.02 -92.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 42' ' ' ARG . 7.3 p -151.48 32.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 0.737 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.9 m -136.45 114.95 11.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.354 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 30.3 mt -74.7 129.89 38.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -117.95 121.39 40.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 59' ' ' ASP . 14.4 m-85 -101.75 137.5 39.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 57' ' ' TYR . 70.3 m-85 -134.02 131.2 38.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.49 HG22 ' HE1' ' A' ' 37' ' ' TYR . 34.4 p -61.3 -29.79 70.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -164.13 158.74 19.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -62.88 -37.46 87.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -55.24 -45.46 76.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.66 138.24 23.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.969 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.1 mm -91.72 -47.1 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.0 mt -85.7 149.55 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 55.2 p90 -87.58 126.79 35.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.484 ' HB ' HG23 ' A' ' 50' ' ' THR . 9.9 p -45.43 -49.21 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.461 ' N ' HG13 ' A' ' 58' ' ' VAL . 2.7 m-20 -162.79 151.78 14.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.7 pttt -122.78 158.52 30.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 61' ' ' LEU . 4.6 mt -131.24 167.83 18.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.473 ' OD2' HG12 ' A' ' 64' ' ' VAL . 1.7 t70 -134.18 132.99 40.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.597 HG22 HD21 ' A' ' 86' ' ' LEU . 14.4 pt -133.55 30.97 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.473 HG12 ' OD2' ' A' ' 62' ' ' ASP . 7.2 p -75.4 -41.81 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.29 17.68 6.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.632 ' HA ' HD23 ' A' ' 86' ' ' LEU . 8.9 tp -44.74 134.35 5.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -85.03 -35.04 22.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 175.46 -178.1 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 108.319 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.442 HD11 ' CD1' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -131.03 126.26 35.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.1 p -99.73 166.58 11.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 72.5 m . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.664 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -84.78 114.99 22.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -126.86 118.22 24.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.442 ' CD1' HD11 ' A' ' 69' ' ' LEU . 13.6 p90 -144.71 151.93 39.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 91' ' ' VAL . 1.4 m -111.62 137.1 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.605 HD23 HD13 ' A' ' 93' ' ' LEU . 2.0 mm? -82.01 114.06 20.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 40.7 t -93.63 109.78 22.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 66' ' ' LEU . 5.1 mt -113.51 157.67 40.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 1.75 7.38 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.3 -61.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.473 ' O ' HD12 ' A' ' 86' ' ' LEU . 5.8 tt0 -150.55 153.18 35.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.351 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.403 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 1.5 mt-10 -96.56 144.47 26.6 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.547 ' O ' HG23 ' A' ' 83' ' ' THR . 78.6 t -127.51 146.79 32.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -100.58 124.73 46.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.328 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.605 HD13 HD23 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -112.5 135.17 53.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 4.0 ttpt -137.63 147.68 45.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.504 HG21 ' HA2' ' A' ' 101' ' ' GLY . 19.8 p -120.12 161.85 20.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -85.8 -46.65 10.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -102.53 170.68 7.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 65.5 m -84.24 -54.58 4.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.417 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -47.95 -63.9 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.6 m -43.41 -36.38 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.664 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -54.45 -52.68 43.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.554 ' OE2' HG12 ' A' ' 120' ' ' VAL . 1.2 mm-40 -62.47 -25.97 68.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.574 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 3.2 mt-10 -67.92 -68.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.926 ' O ' HD12 ' A' ' 108' ' ' ILE . 78.9 m95 -44.57 -63.49 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 107.972 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 104' ' ' TRP . 4.4 ttp180 -37.61 -61.54 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -48.84 -68.92 1.12 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.793 ' CE1' HG21 ' A' ' 133' ' ' VAL . 14.8 m-85 -41.85 -47.52 4.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.926 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.8 mp -64.32 -51.79 63.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.422 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 20.0 mt -54.83 -17.7 3.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.78 HG23 ' O ' ' A' ' 115' ' ' SER . 33.3 m -88.58 -44.54 10.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.581 HG22 ' HA ' ' A' ' 108' ' ' ILE . 15.9 m -81.78 8.9 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.861 HG23 ' O ' ' A' ' 108' ' ' ILE . 67.6 p -122.39 -51.41 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -81.64 -10.73 59.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 114' ' ' LEU . 0.2 OUTLIER 64.01 18.68 11.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.78 ' O ' HG23 ' A' ' 110' ' ' THR . 0.4 OUTLIER -138.79 -154.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 42.3 t -135.93 127.89 17.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 116' ' ' VAL . 18.4 Cg_endo -75.0 117.62 4.98 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 111.068 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -91.67 22.87 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -127.53 49.97 2.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.554 HG12 ' OE2' ' A' ' 102' ' ' GLU . 0.3 OUTLIER -118.3 160.41 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.08 -6.74 23.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.481 HD21 ' CG ' ' A' ' 103' ' ' GLU . 1.2 tp -50.97 159.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.627 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.3 mm? -65.27 169.58 5.68 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.627 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -74.98 -8.11 19.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.774 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -97.01 -33.34 6.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -74.44 -42.46 59.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 t -50.38 -34.18 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.774 HD12 ' HA2' ' A' ' 125' ' ' GLY . 32.4 mt -51.47 -47.22 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -47.55 -53.27 14.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.751 ' O ' HG21 ' A' ' 110' ' ' THR . 23.6 mt -49.61 -31.48 10.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -79.43 -50.44 10.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.633 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.87 -40.77 94.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.793 HG21 ' CE1' ' A' ' 107' ' ' PHE . 44.4 t -61.1 -43.36 96.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.55 HD22 ' HA ' ' A' ' 115' ' ' SER . 5.6 tp -56.55 -65.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.456 ' O ' ' CD ' ' A' ' 139' ' ' LYS . 37.1 mt-10 -49.81 -30.89 10.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.3 mmt-85 -64.13 -62.89 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 1.2 pt-20 -63.39 -25.19 68.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.544 ' HG3' HD12 ' A' ' 134' ' ' LEU . 11.3 mttm -51.46 -58.99 4.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.456 ' CD ' ' O ' ' A' ' 135' ' ' GLU . 0.0 OUTLIER -41.33 -52.97 3.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 14.1 ttp85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.915 0 N-CA-C 111.049 -0.404 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.585 HD21 ' HG2' ' A' ' 21' ' ' GLU . 8.5 tp -71.91 139.67 48.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.443 ' CG ' HG13 ' A' ' 133' ' ' VAL . 23.1 m-85 -115.72 -37.36 3.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.57 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 4.7 t80 -161.03 150.25 16.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG2' HD21 ' A' ' 18' ' ' LEU . 2.4 pt-20 -151.88 135.12 15.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . 178.67 133.31 1.89 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -38.0 96.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.604 HD21 HD23 ' A' ' 93' ' ' LEU . 14.1 tp -98.24 153.17 18.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.903 HD21 ' CD2' ' A' ' 36' ' ' HIS . 12.1 mt -107.24 125.79 51.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.417 HG13 ' CE1' ' A' ' 48' ' ' PHE . 14.1 mm -113.19 133.44 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.57 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 52.9 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.461 0.172 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.535 ' O ' HD23 ' A' ' 25' ' ' LEU . 41.9 mm-40 -102.41 145.17 29.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.903 ' CD2' HD21 ' A' ' 25' ' ' LEU . 6.6 m80 -95.18 118.25 31.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.632 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.702 ' HE1' HG22 ' A' ' 50' ' ' THR . 32.0 m-85 -144.18 135.99 26.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.549 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 61.4 t-105 -60.4 92.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 108.047 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.406 HG21 HD23 ' A' ' 24' ' ' LEU . 45.7 m -81.59 133.67 35.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -123.56 122.96 39.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 107' ' ' PHE . 0.1 OUTLIER -91.17 123.35 34.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -148.39 126.98 12.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.16 -97.9 0.07 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.432 HG22 ' HB ' ' A' ' 111' ' ' VAL . 6.2 p -146.47 20.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 110.379 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.8 m -124.84 123.73 40.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.374 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.0 mt -79.84 132.58 36.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -120.28 124.47 45.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.482 ' CZ ' HD12 ' A' ' 61' ' ' LEU . 28.6 m-85 -105.45 137.41 43.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.539 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 68.1 m-85 -134.56 127.33 31.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.702 HG22 ' HE1' ' A' ' 37' ' ' TYR . 31.7 p -60.43 -31.79 70.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 54' ' ' SER . 41.0 m-20 -162.61 143.97 10.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -44.54 -41.6 6.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -51.36 -42.4 61.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 51' ' ' ASP . 48.7 m -41.64 123.83 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -79.18 -42.47 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.47 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.1 pp -111.28 139.43 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.539 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 53.9 p90 -61.59 128.57 36.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 111.049 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.672 ' HB ' HG23 ' A' ' 50' ' ' THR . 6.2 p -52.07 -40.67 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.23 152.78 15.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -129.61 159.86 35.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.482 HD12 ' CZ ' ' A' ' 48' ' ' PHE . 9.0 mt -134.1 161.92 33.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -124.63 129.09 49.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.736 HD12 HG23 ' A' ' 108' ' ' ILE . 10.5 pt -128.81 23.62 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.0 p -72.49 -34.24 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.77 12.72 22.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.519 ' HA ' HD23 ' A' ' 86' ' ' LEU . 3.3 tp -43.58 129.34 5.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -85.38 -39.11 17.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.373 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -179.04 -179.16 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 108.301 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.486 HD21 ' CB ' ' A' ' 82' ' ' PHE . 0.7 OUTLIER -131.54 127.14 36.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.3 p -104.04 172.46 6.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.352 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.591 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -130.39 124.88 33.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -134.38 122.26 22.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.486 ' CB ' HD21 ' A' ' 69' ' ' LEU . 1.7 p90 -137.05 157.24 47.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.1 m -116.84 114.72 24.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.739 HD22 HD13 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -66.17 101.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.378 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.7 t -76.0 118.6 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.843 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.6 mt -122.41 156.89 60.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.29 9.05 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -113.45 -58.27 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.843 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.2 tt0 -156.74 149.15 23.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -87.44 133.83 33.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.4 t -112.4 144.88 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -104.6 138.87 40.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.739 HD13 HD22 ' A' ' 84' ' ' LEU . 2.9 mp -128.89 154.85 46.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.515 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -153.8 147.68 25.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.8 p -129.1 152.35 48.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.452 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -52.64 -57.43 10.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.272 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -119.32 168.7 10.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.1 t -61.53 -41.18 96.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.375 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -43.44 -64.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.05 -48.09 8.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.013 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.591 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -47.89 -70.83 0.66 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -45.9 -30.6 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 110.35 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.57 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 1.9 mt-10 -68.01 -68.37 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.804 ' O ' HD12 ' A' ' 108' ' ' ILE . 86.3 m95 -52.79 -58.29 7.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 108.047 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.45 ' HG3' ' CD2' ' A' ' 82' ' ' PHE . 5.5 ttp180 -42.12 -35.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.252 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.01 -67.08 1.89 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.543 ' CE2' HG21 ' A' ' 133' ' ' VAL . 22.5 m-85 -44.79 -41.75 7.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.97 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.804 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.8 mp -67.57 -63.99 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.459 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 27.9 mt -42.07 -25.27 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.903 HG23 ' O ' ' A' ' 115' ' ' SER . 84.7 m -79.78 -62.73 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.535 HG22 ' HA ' ' A' ' 108' ' ' ILE . 15.5 m -58.33 -14.95 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.459 ' OG1' ' HA ' ' A' ' 109' ' ' LEU . 25.4 p -95.34 -53.87 3.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.356 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 114' ' ' LEU . 13.6 mt-10 -84.06 10.48 9.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 110' ' ' THR . 0.2 OUTLIER 39.32 33.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.903 ' O ' HG23 ' A' ' 110' ' ' THR . 0.3 OUTLIER -149.88 -162.89 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 48.7 t -126.71 122.1 23.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 122.85 7.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.804 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -92.02 25.78 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -124.96 42.76 3.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.1 m -116.42 151.2 18.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.32 -8.98 26.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 122' ' ' LEU . 1.6 tp -43.44 161.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.621 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.1 mm? -65.67 169.27 6.7 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.621 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.98 -8.01 19.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.731 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -96.65 -33.96 5.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -74.08 -43.68 56.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.02 -34.17 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.731 HD12 ' HA2' ' A' ' 125' ' ' GLY . 37.8 mt -51.01 -47.92 30.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -45.81 -58.28 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 45.1 mt -44.16 -40.44 5.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -67.16 -55.37 14.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.58 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -58.32 -52.88 63.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.543 HG21 ' CE2' ' A' ' 107' ' ' PHE . 46.2 t -50.69 -40.84 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.513 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.0 tp -59.11 -64.52 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -52.34 -27.08 14.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 2.4 mmt85 -64.77 -59.65 3.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.426 ' CD ' HD13 ' A' ' 114' ' ' LEU . 8.1 pt-20 -66.36 -38.52 87.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.513 ' HG3' HD12 ' A' ' 134' ' ' LEU . 7.1 mttm -39.45 -47.75 1.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -51.22 -52.89 40.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 137' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.507 HD21 ' OE1' ' A' ' 21' ' ' GLU . 41.3 tp -98.42 150.07 22.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.949 ' CD2' HG13 ' A' ' 133' ' ' VAL . 18.9 m-30 -115.18 -70.06 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -120.17 171.47 8.46 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.507 ' OE1' HD21 ' A' ' 18' ' ' LEU . 3.4 pt-20 -173.2 112.83 0.22 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.259 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.49 166.54 38.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.596 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 2.3 m-85 -73.11 108.6 6.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.05 HD21 HD23 ' A' ' 93' ' ' LEU . 18.4 tp -113.32 156.01 24.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.785 HD23 ' C ' ' A' ' 35' ' ' GLU . 5.2 mt -103.89 121.95 44.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.432 HD11 HD23 ' A' ' 24' ' ' LEU . 14.5 mm -111.17 126.18 68.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 3.6 tttt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.566 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 47.5 m-85 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.471 0.177 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.785 ' C ' HD23 ' A' ' 25' ' ' LEU . 76.2 mm-40 -111.0 140.28 45.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.325 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.596 ' CE1' ' HB3' ' A' ' 23' ' ' PHE . 10.5 t60 -83.84 119.57 25.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.577 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.561 ' CE1' HG22 ' A' ' 50' ' ' THR . 34.6 m-85 -142.41 135.3 28.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.554 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 59.1 t-105 -65.87 90.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.035 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.68 HG22 ' CH2' ' A' ' 104' ' ' TRP . 52.4 m -82.69 147.69 28.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.466 ' HG2' ' CB ' ' A' ' 21' ' ' GLU . 14.3 mt-10 -135.8 121.23 19.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -97.73 114.7 26.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.455 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -132.64 138.99 47.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.644 ' HA2' ' CE2' ' A' ' 19' ' ' TYR . . . 43.25 -94.68 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 42' ' ' ARG . 2.3 p -141.72 21.68 2.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 0.752 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.6 m -120.65 131.61 54.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.479 ' CD2' ' HG ' ' A' ' 41' ' ' LEU . 74.4 mt -98.78 126.61 44.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' ' 39' ' ' THR . 59.6 m-85 -112.75 150.44 31.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.885 ' O ' HG12 ' A' ' 58' ' ' VAL . 12.1 m-85 -132.2 118.22 19.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 57' ' ' TYR . 90.3 m-85 -118.53 167.7 11.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.561 HG22 ' CE1' ' A' ' 37' ' ' TYR . 69.3 p -104.31 -28.03 11.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -161.66 148.41 14.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.247 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -48.32 -39.32 21.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -56.08 -49.69 73.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.5 m -41.93 123.94 2.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.6 mm -87.72 -47.01 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.162 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.3 mm -94.34 125.47 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.527 ' CZ ' ' HD3' ' A' ' 60' ' ' LYS . 36.6 p90 -65.16 136.36 56.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.885 HG12 ' O ' ' A' ' 48' ' ' PHE . 7.5 p -50.77 -33.68 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -178.04 156.19 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.527 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 4.9 pttt -130.84 155.98 45.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.0 mt -128.57 176.54 7.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.78 135.52 38.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.658 HG22 HD21 ' A' ' 86' ' ' LEU . 6.9 pt -132.68 29.58 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.4 -30.97 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.43 13.34 30.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.519 HD13 HD12 ' A' ' 84' ' ' LEU . 3.9 tp -40.57 132.57 2.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.81 -30.4 20.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 171.74 -177.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 108.328 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.552 HD12 HD13 ' A' ' 84' ' ' LEU . 1.3 tt -134.19 126.64 30.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.1 p -101.85 175.76 5.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 80.7 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.494 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -85.75 115.34 23.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -119.92 122.78 42.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -147.79 150.57 34.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 91' ' ' VAL . 7.3 m -113.22 124.12 51.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.954 HD23 HD13 ' A' ' 93' ' ' LEU . 1.8 mm? -72.29 103.86 3.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.2 t -78.91 122.0 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.93 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.7 mt -123.52 157.91 60.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.01 9.44 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -114.54 -58.46 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.93 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.3 tt0 -156.99 148.29 22.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -87.03 156.15 19.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 83' ' ' THR . 69.6 t -135.48 144.46 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.448 ' C ' HD12 ' A' ' 93' ' ' LEU . 61.4 mt-30 -103.72 137.92 41.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 1.05 HD23 HD21 ' A' ' 24' ' ' LEU . 8.1 mp -127.91 157.26 41.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 6.1 tttt -154.2 148.51 26.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.633 HG22 ' CD1' ' A' ' 24' ' ' LEU . 70.1 p -126.05 167.69 14.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.391 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.12 -65.37 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -97.92 153.8 18.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 88.2 m -56.53 -47.44 79.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.461 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.414 ' C ' ' N ' ' A' ' 101' ' ' GLY . 1.1 mm-40 -45.78 -68.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.54 -29.8 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.966 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.494 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -64.13 -61.78 5.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -52.4 -35.46 51.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.47 ' HG3' HD11 ' A' ' 122' ' ' LEU . 3.9 mt-10 -58.47 -67.97 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.931 ' O ' HD12 ' A' ' 108' ' ' ILE . 62.5 m95 -50.01 -65.41 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -37.99 -61.3 0.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 110.26 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -55.06 -55.66 27.01 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.52 ' CE1' HG21 ' A' ' 133' ' ' VAL . 3.4 m-85 -49.47 -43.34 44.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.931 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.8 mp -66.98 -56.08 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.9 mt -48.05 -23.8 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.615 HG21 ' O ' ' A' ' 130' ' ' LEU . 57.1 m -82.54 -39.66 22.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.712 HG22 ' HA ' ' A' ' 108' ' ' ILE . 34.1 m -92.48 27.44 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 108' ' ' ILE . 40.0 p -142.92 -45.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.437 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.47 -15.83 44.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.3 mm? 70.73 23.11 4.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.45 ' O ' HG23 ' A' ' 110' ' ' THR . 0.1 OUTLIER -145.45 -158.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.002 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 48.8 t -130.91 123.43 20.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 120.61 6.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.87 -4.29 58.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -98.69 62.03 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.6 m -132.26 140.41 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.4 -6.55 57.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.485 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.1 OUTLIER -51.1 177.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.573 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -103.28 -175.47 0.39 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.5 Cg_endo -75.02 -11.0 21.43 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.783 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.714 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -90.54 -35.45 7.37 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.485 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 1.8 mt-30 -75.96 -49.62 17.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.6 t -44.36 -36.56 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.714 HD12 ' HA2' ' A' ' 125' ' ' GLY . 58.0 mt -49.41 -50.68 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.445 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 6.7 mmmm -48.45 -53.54 17.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.615 ' O ' HG21 ' A' ' 110' ' ' THR . 15.8 mt -51.46 -41.48 60.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -65.79 -52.83 47.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.569 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -60.57 -58.62 7.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.949 HG13 ' CD2' ' A' ' 19' ' ' TYR . 55.8 t -45.48 -43.26 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.591 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.4 tp -58.12 -69.49 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -46.61 -31.22 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.3 mmt-85 -63.83 -48.91 74.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 5.0 pt-20 -74.86 -30.56 61.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.591 ' HG3' HD12 ' A' ' 134' ' ' LEU . 25.5 mttt -50.1 -42.3 50.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -61.69 -64.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.424 ' CG ' ' HD2' ' A' ' 136' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.681 HD21 ' OE1' ' A' ' 40' ' ' GLU . 2.2 tm? -57.12 134.71 56.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.648 ' CD2' HG13 ' A' ' 133' ' ' VAL . 20.5 m-30 -110.9 -28.62 8.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 6.8 t80 -170.86 140.76 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.529 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 3.6 pt-20 -129.18 139.83 51.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.58 154.08 8.96 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -71.12 108.72 4.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 110.954 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.461 ' CD1' HG22 ' A' ' 95' ' ' THR . 13.1 tp -105.14 153.55 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.817 HD23 ' O ' ' A' ' 35' ' ' GLU . 12.7 mt -106.77 116.64 32.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 mm -108.8 128.95 64.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.563 ' HE2' ' CE2' ' A' ' 34' ' ' TYR . 2.1 ttpp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CE2' ' HE2' ' A' ' 27' ' ' LYS . 60.7 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.49 0.186 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.817 ' O ' HD23 ' A' ' 25' ' ' LEU . 8.6 mm-40 -109.95 151.25 27.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.55 ' CD2' HD21 ' A' ' 25' ' ' LEU . 67.2 m80 -92.85 121.63 34.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 45.0 m-85 -141.43 137.56 32.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.529 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 72.9 t-105 -63.78 84.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.041 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.526 HG23 ' CD1' ' A' ' 48' ' ' PHE . 52.6 m -81.7 135.85 35.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.681 ' OE1' HD21 ' A' ' 18' ' ' LEU . 4.7 mm-40 -125.09 136.99 54.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.479 HD22 ' HD2' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -94.94 117.11 29.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.419 ' N ' HD23 ' A' ' 41' ' ' LEU . 15.3 mtt180 -135.27 126.91 28.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.33 -96.43 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -142.24 16.76 2.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.2 m -120.27 123.83 44.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.2 mt -80.38 113.07 18.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -101.26 119.46 38.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.526 ' CD1' HG23 ' A' ' 39' ' ' THR . 10.9 m-85 -102.27 139.76 37.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.417 ' O ' ' N ' ' A' ' 38' ' ' TRP . 75.9 m-85 -132.66 155.07 49.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.841 HG23 ' HB ' ' A' ' 58' ' ' VAL . 76.0 p -93.29 -28.57 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -160.07 152.97 21.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -38.68 78.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -56.49 -40.89 75.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.93 139.26 41.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.976 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.7 mt -106.29 -43.38 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.8 mt -87.9 105.2 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.487 ' CZ ' ' HD3' ' A' ' 60' ' ' LYS . 55.8 p90 -44.46 129.98 6.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.841 ' HB ' HG23 ' A' ' 50' ' ' THR . 6.2 p -52.11 -47.81 42.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.435 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -156.35 160.59 39.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.487 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 9.2 pttt -141.39 162.01 36.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.496 ' CD1' HG11 ' A' ' 91' ' ' VAL . 7.5 mt -135.84 176.16 8.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -136.31 131.77 34.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.814 HG22 HD21 ' A' ' 86' ' ' LEU . 6.7 pt -134.37 21.36 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.8 p -69.02 -32.15 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.45 16.71 22.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.577 ' HA ' HD23 ' A' ' 86' ' ' LEU . 2.4 tp -43.19 133.61 3.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -88.32 -30.76 19.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 110.355 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 170.61 -178.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.306 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.71 HD12 HD13 ' A' ' 84' ' ' LEU . 1.1 tt -132.92 128.43 36.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.7 p -99.79 168.71 9.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.386 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.83 119.94 38.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -135.36 115.83 13.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.427 ' CE1' ' HB3' ' A' ' 93' ' ' LEU . 4.3 p90 -142.64 156.53 45.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 91' ' ' VAL . 3.0 m -115.04 137.83 51.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.354 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.71 HD13 HD12 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -86.2 111.94 20.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -84.86 125.16 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.814 HD21 HG22 ' A' ' 63' ' ' ILE . 2.7 mt -127.0 156.58 74.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.48 8.84 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.36 -57.34 2.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.751 ' O ' HD12 ' A' ' 86' ' ' LEU . 3.7 tt0 -158.13 151.32 23.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.21 142.57 27.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.496 HG11 ' CD1' ' A' ' 61' ' ' LEU . 66.8 t -124.44 139.44 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -91.36 138.05 31.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.709 HD13 HD23 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -129.49 144.11 51.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.518 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -146.94 147.3 30.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.501 HG21 ' HA2' ' A' ' 101' ' ' GLY . 8.8 p -123.7 -177.41 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.434 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -80.86 -48.2 12.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -146.05 166.93 24.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.1 m -51.6 -43.29 62.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -46.93 -63.85 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.51 -40.47 71.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.501 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -55.06 -66.38 2.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.705 ' OE2' HG12 ' A' ' 120' ' ' VAL . 1.4 mm-40 -39.16 -42.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 0.795 . . . . 0.0 110.336 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.573 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 2.6 mt-10 -55.56 -70.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.773 ' O ' HD12 ' A' ' 108' ' ' ILE . 84.0 m95 -49.63 -61.79 1.92 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 107.961 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -39.91 -45.17 1.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.06 -53.59 10.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.618 ' CE1' ' HB3' ' A' ' 129' ' ' LYS . 7.2 m-85 -53.79 -42.44 68.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.773 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.7 mp -65.26 -59.73 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 45.9 mt -45.49 -26.11 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.58 HG21 ' O ' ' A' ' 130' ' ' LEU . 96.4 m -80.68 -40.94 24.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 110.409 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.725 HG22 ' HA ' ' A' ' 108' ' ' ILE . 31.2 m -91.15 28.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 23.8 p -144.16 -45.42 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.47 -19.31 31.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 73.33 21.27 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.429 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -148.2 -179.76 7.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.442 HG23 HD23 ' A' ' 134' ' ' LEU . 57.8 t -108.02 125.05 32.96 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.39 18.92 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -95.69 -5.74 41.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -97.27 60.97 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.705 HG12 ' OE2' ' A' ' 102' ' ' GLU . 1.2 m -133.21 157.17 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.87 0.01 27.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.496 HD13 ' HB3' ' A' ' 102' ' ' GLU . 0.3 OUTLIER -52.08 -176.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.635 ' O ' HG23 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -108.96 -176.33 0.4 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.558 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.02 -20.23 17.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.588 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -87.16 -24.27 37.86 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.465 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 8.9 mm-40 -90.82 -36.65 14.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 123' ' ' LEU . 18.0 t -57.28 -42.35 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.588 HD12 ' HA2' ' A' ' 125' ' ' GLY . 25.1 mt -41.48 -49.81 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.618 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -45.62 -58.33 3.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.58 ' O ' HG21 ' A' ' 110' ' ' THR . 23.3 mt -47.97 -40.06 21.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -68.15 -55.97 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.594 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -57.67 -56.87 16.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.648 HG13 ' CD2' ' A' ' 19' ' ' TYR . 69.4 t -48.23 -48.45 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.571 HD12 ' HG3' ' A' ' 138' ' ' LYS . 4.1 tp -52.0 -68.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -50.15 -33.8 20.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.284 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.44 ' HB3' ' CE1' ' A' ' 19' ' ' TYR . 8.8 mmt180 -63.49 -55.18 26.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 3.4 pt-20 -69.34 -25.91 64.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.571 ' HG3' HD12 ' A' ' 134' ' ' LEU . 10.1 mttm -51.3 -57.15 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 28.7 mmtm -43.37 -55.48 4.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 9.7 mtt-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HB3' ' NH1' ' A' ' 136' ' ' ARG . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 111.004 -0.421 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.907 HD21 ' OE1' ' A' ' 21' ' ' GLU . 3.0 tp -72.82 138.94 46.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.635 ' CD2' HG13 ' A' ' 133' ' ' VAL . 19.5 m-85 -119.47 -35.49 3.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -163.25 170.92 16.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.032 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.907 ' OE1' HD21 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -164.44 150.54 10.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.61 139.59 2.69 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -46.71 106.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 0.796 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.956 HD21 HD23 ' A' ' 93' ' ' LEU . 14.8 tp -106.91 152.34 24.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 35' ' ' GLU . 10.1 mt -106.03 134.9 48.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.167 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.2 mm -115.21 137.88 47.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.601 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.601 ' CD2' ' HB2' ' A' ' 27' ' ' LYS . 14.6 m-85 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.517 0.198 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.868 ' O ' HD23 ' A' ' 25' ' ' LEU . 2.7 pt-20 -97.78 148.45 23.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.34 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.663 ' CE1' HD21 ' A' ' 25' ' ' LEU . 27.0 m80 -103.88 101.14 10.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.621 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' A' ' 35' ' ' GLU . 42.2 m-85 -132.6 140.06 48.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -67.43 95.74 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 108.016 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.443 HG21 HD23 ' A' ' 24' ' ' LEU . 5.7 m -83.81 139.3 32.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -128.41 129.42 46.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.437 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.1 OUTLIER -90.89 119.05 30.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -138.56 126.69 22.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.42 -100.32 0.06 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.95 ' HB ' HG12 ' A' ' 64' ' ' VAL . 3.0 p -138.33 11.07 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.432 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.6 m -118.83 126.66 52.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 110.433 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.4 mt -82.82 135.92 34.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.231 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.417 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 88.1 m-85 -123.45 129.32 51.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.447 ' O ' HG12 ' A' ' 58' ' ' VAL . 3.2 m-85 -116.75 130.77 56.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.498 ' CD2' ' HA ' ' A' ' 57' ' ' TYR . 59.1 m-85 -124.17 161.63 25.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.574 HG23 ' HB ' ' A' ' 58' ' ' VAL . 55.9 p -81.94 -20.18 39.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -165.11 173.28 11.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -72.25 -28.64 63.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -72.54 -29.68 63.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.75 138.59 14.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.2 mt -107.42 -48.88 8.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mt -92.72 99.48 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.498 ' HA ' ' CD2' ' A' ' 49' ' ' TYR . 53.7 p90 -40.29 130.04 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.574 ' HB ' HG23 ' A' ' 50' ' ' THR . 12.7 p -58.45 -31.36 43.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -168.48 145.89 4.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.9 pttt -125.81 163.51 22.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.788 HD11 HG11 ' A' ' 91' ' ' VAL . 6.6 mt -132.5 166.32 22.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.79 130.5 36.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.694 HD12 ' CG2' ' A' ' 112' ' ' THR . 9.1 pt -131.44 14.91 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.95 HG12 ' HB ' ' A' ' 44' ' ' THR . 3.1 m -62.26 -24.56 35.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -108.1 13.87 25.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.57 ' HA ' HD23 ' A' ' 86' ' ' LEU . 2.7 tp -39.36 132.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -86.74 -32.87 20.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 171.56 -179.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 108.289 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.542 HD12 HD13 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -133.02 127.31 33.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.3 p -100.74 171.42 7.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.287 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 30.7 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.565 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -82.64 119.93 24.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.58 117.41 19.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.564 ' CE2' ' HG2' ' A' ' 105' ' ' ARG . 2.7 p90 -145.83 158.03 43.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 111.052 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.8 m -112.99 128.4 56.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.435 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.695 HD23 HD13 ' A' ' 93' ' ' LEU . 2.3 mm? -76.37 102.61 6.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.3 t -79.0 119.77 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 89' ' ' GLU . 4.5 mt -125.83 157.14 69.99 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.67 8.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 111.055 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.54 -56.88 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.608 ' O ' HD12 ' A' ' 86' ' ' LEU . 3.9 tt0 -157.83 151.56 23.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -94.46 131.25 40.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.788 HG11 HD11 ' A' ' 61' ' ' LEU . 60.0 t -119.45 139.49 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.848 ' O ' HD12 ' A' ' 93' ' ' LEU . 34.9 mt-30 -94.09 154.6 17.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.956 HD23 HD21 ' A' ' 24' ' ' LEU . 4.5 mp -141.57 139.1 33.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.88 141.71 42.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.503 HG22 ' CD1' ' A' ' 24' ' ' LEU . 41.6 p -116.44 162.96 16.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.374 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -78.55 -65.18 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.62 150.98 20.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.9 m -60.79 -41.37 95.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 100' ' ' SER . 43.4 tt0 -55.76 -60.53 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -38.37 -43.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.565 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -50.91 -64.66 3.59 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.495 ' OE2' HG12 ' A' ' 120' ' ' VAL . 0.9 OUTLIER -44.31 -43.43 7.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 110.306 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.615 ' OE1' ' CD2' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -52.86 -69.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.821 ' O ' HD12 ' A' ' 108' ' ' ILE . 94.5 m95 -49.16 -61.83 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 107.972 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.564 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -37.41 -58.22 0.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.33 -59.12 10.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.637 ' CE1' HG21 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -47.19 -45.12 22.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.763 . . . . 0.0 110.97 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.821 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.5 mp -64.78 -60.04 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 35.7 mt -45.57 -26.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.612 HG21 ' O ' ' A' ' 130' ' ' LEU . 62.4 m -81.34 -39.81 24.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.439 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.752 HG22 ' HA ' ' A' ' 108' ' ' ILE . 24.9 m -92.27 28.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.694 ' CG2' HD12 ' A' ' 63' ' ' ILE . 24.4 p -144.35 -46.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -84.79 -13.15 52.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 68.35 24.45 7.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 110' ' ' THR . 0.1 OUTLIER -144.03 -156.73 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.995 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 44.3 t -138.12 124.17 12.81 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 119.12 5.52 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -89.06 16.35 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -116.38 47.37 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.495 HG12 ' OE2' ' A' ' 102' ' ' GLU . 5.1 m -120.84 140.98 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.08 -8.12 59.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.455 ' HA ' HD12 ' A' ' 122' ' ' LEU . 1.8 tp -42.93 159.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.641 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.2 mm? -66.43 170.48 5.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.641 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -75.0 -8.71 20.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.79 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.613 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -96.15 -33.79 6.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 129' ' ' LYS . 28.0 mt-30 -73.16 -50.59 21.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 0.745 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 126' ' ' GLN . 2.1 t -40.55 -40.61 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.613 HD12 ' HA2' ' A' ' 125' ' ' GLY . 33.9 mt -50.67 -49.82 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 126' ' ' GLN . 6.6 mmmm -41.9 -56.49 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.612 ' O ' HG21 ' A' ' 110' ' ' THR . 12.3 mt -48.12 -42.96 30.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 128' ' ' ILE . 3.2 m-70 -63.27 -52.55 61.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.571 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -61.41 -60.16 4.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.637 HG21 ' CE1' ' A' ' 107' ' ' PHE . 48.1 t -42.38 -40.9 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.429 ' CD2' ' HA ' ' A' ' 115' ' ' SER . 3.4 tp -60.38 -72.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -43.88 -26.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.42 ' N ' ' C ' ' A' ' 134' ' ' LEU . 0.3 OUTLIER -68.62 -45.38 72.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.264 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 1.6 pt-20 -78.48 -30.34 47.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 26.4 mttm -50.23 -41.68 50.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -58.87 -61.9 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.915 0 N-CA-C 111.031 -0.411 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.588 HD21 ' OE2' ' A' ' 21' ' ' GLU . 23.1 tp -59.66 144.72 47.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.564 ' CG ' HG13 ' A' ' 133' ' ' VAL . 18.7 m-85 -130.55 -55.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.544 ' CG ' ' CE2' ' A' ' 107' ' ' PHE . 10.6 t80 -138.07 160.23 39.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.588 ' OE2' HD21 ' A' ' 18' ' ' LEU . 2.3 pm0 -152.33 138.64 18.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.25 132.58 1.69 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -44.64 98.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.746 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.724 HD21 ' CD2' ' A' ' 93' ' ' LEU . 18.0 tp -101.91 155.02 18.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.707 HD23 ' C ' ' A' ' 35' ' ' GLU . 5.7 mt -105.93 127.5 53.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.8 mm -118.33 134.22 62.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.572 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 3.3 tttt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.572 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 37.4 m-85 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.498 0.19 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.707 ' C ' HD23 ' A' ' 25' ' ' LEU . 45.3 mt-10 -127.75 145.17 51.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.29 123.74 33.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.56 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.456 ' CE1' HG22 ' A' ' 50' ' ' THR . 31.8 m-85 -144.56 141.81 29.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' TYR . 66.8 t-105 -65.62 86.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.6 HG23 ' CD1' ' A' ' 48' ' ' PHE . 91.0 m -82.32 139.16 34.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.379 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -132.19 133.28 44.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.568 HD21 HG21 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -91.3 121.51 33.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 44' ' ' THR . 89.2 mtt180 -137.69 126.96 24.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.89 -92.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.792 ' HB ' HG12 ' A' ' 64' ' ' VAL . 0.7 OUTLIER -145.2 17.47 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 0.738 . . . . 0.0 110.415 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 61' ' ' LEU . 18.2 m -119.92 128.39 53.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.179 . . . . 0.0 110.369 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 31.6 mt -84.59 112.86 20.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -101.39 119.32 38.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.168 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.6 ' CD1' HG23 ' A' ' 39' ' ' THR . 20.7 m-85 -104.29 128.7 52.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.475 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 78.5 m-85 -122.62 167.22 13.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.572 HG23 ' HB ' ' A' ' 58' ' ' VAL . 24.9 p -104.07 -29.29 10.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -161.06 171.18 19.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -30.75 54.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -61.66 -32.53 72.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.53 145.88 21.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.6 mt -97.52 -42.03 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -108.06 165.49 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.51 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 35.9 p90 -88.2 129.88 35.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.572 ' HB ' HG23 ' A' ' 50' ' ' THR . 11.7 p -48.5 -31.81 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -174.94 153.96 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 24.7 pttt -130.75 172.22 12.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.729 HD11 HG11 ' A' ' 91' ' ' VAL . 3.3 mt -132.97 -173.65 3.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -147.87 110.79 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.699 HG22 HD21 ' A' ' 86' ' ' LEU . 18.9 pt -125.21 24.65 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.792 HG12 ' HB ' ' A' ' 44' ' ' THR . 1.4 m -67.63 -40.26 83.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.68 24.61 6.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.579 ' HA ' HD23 ' A' ' 86' ' ' LEU . 1.4 tp -42.52 132.58 3.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.03 -36.68 19.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 172.17 -179.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 108.351 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.607 HD12 HD13 ' A' ' 84' ' ' LEU . 2.2 tt -132.42 126.27 32.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.1 p -96.25 175.13 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 94.1 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.472 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -108.75 117.17 33.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.14 116.69 20.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CD1' HD11 ' A' ' 69' ' ' LEU . 3.8 p90 -145.67 155.84 43.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.7 m -113.9 138.07 50.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.368 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.607 HD13 HD12 ' A' ' 69' ' ' LEU . 1.6 mm? -82.16 109.13 16.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 36.8 t -84.92 118.17 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.954 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.6 mt -123.61 157.16 63.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 0.45 8.91 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.519 1.799 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -114.62 -58.13 2.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.954 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.1 tt0 -158.14 149.93 21.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -90.5 155.3 19.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.729 HG11 HD11 ' A' ' 61' ' ' LEU . 53.6 t -139.11 138.08 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.407 ' O ' HD12 ' A' ' 93' ' ' LEU . 33.5 mt-30 -87.71 145.24 26.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.724 ' CD2' HD21 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -140.17 134.16 30.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -136.49 147.15 47.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.78 HG21 ' HA2' ' A' ' 101' ' ' GLY . 35.5 p -119.55 177.49 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -75.42 -44.55 43.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -146.97 161.72 40.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.1 m -45.43 -47.98 13.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.91 -74.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.251 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.5 m -44.08 -42.86 6.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.78 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -52.44 -58.26 11.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.438 ' OE2' HG12 ' A' ' 120' ' ' VAL . 0.9 OUTLIER -49.34 -41.45 38.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 0.779 . . . . 0.0 110.325 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.95 -68.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.827 ' O ' HD12 ' A' ' 108' ' ' ILE . 90.5 m95 -53.54 -59.73 4.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 108.035 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' TRP . 10.3 ttp180 -37.59 -57.01 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.18 -46.46 79.63 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.549 ' CZ ' ' HG2' ' A' ' 129' ' ' LYS . 0.2 OUTLIER -54.7 -42.18 71.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 111.019 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.827 HD12 ' O ' ' A' ' 104' ' ' TRP . 2.4 mp -68.56 -56.57 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 50.9 mt -46.2 -26.03 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.414 ' N ' ' C ' ' A' ' 108' ' ' ILE . 54.7 m -80.16 -40.55 27.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.708 HG22 ' HA ' ' A' ' 108' ' ' ILE . 34.4 m -92.4 30.34 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 24.0 p -146.2 -47.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.391 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -85.02 -11.18 55.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.7 mm? 64.15 25.21 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.364 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.474 ' HA ' HD22 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -142.98 -166.64 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 92.7 t -127.78 120.98 21.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.458 ' O ' HG22 ' A' ' 120' ' ' VAL . 18.2 Cg_endo -75.04 119.48 5.66 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.544 1.813 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -84.11 -15.26 47.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -90.23 61.44 5.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 117' ' ' PRO . 0.4 OUTLIER -129.04 151.58 35.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -12.61 60.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.477 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.1 OUTLIER -51.7 176.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.588 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -106.61 -174.19 0.31 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.588 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -75.02 -19.62 17.63 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.742 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -88.71 -18.65 54.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.467 1.104 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.477 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 0.7 OUTLIER -92.08 -36.5 13.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.753 . . . . 0.0 110.26 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.7 t -62.0 -27.09 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.742 HD12 ' HA2' ' A' ' 125' ' ' GLY . 49.9 mt -61.86 -40.95 88.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.549 ' HG2' ' CZ ' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -51.76 -60.05 3.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.431 ' CD2' ' HA ' ' A' ' 107' ' ' PHE . 68.6 mt -45.82 -55.26 6.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -43.11 -44.78 5.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.589 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -65.91 -55.33 17.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.564 HG13 ' CG ' ' A' ' 19' ' ' TYR . 97.3 t -51.19 -47.69 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.562 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.6 tp -51.93 -68.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -48.03 -30.82 4.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -52.99 52.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.274 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -71.67 -25.43 62.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.562 ' HG3' HD12 ' A' ' 134' ' ' LEU . 17.8 mttt -52.7 -52.14 57.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.42 -50.6 16.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.431 HD21 ' OE1' ' A' ' 21' ' ' GLU . 6.4 tp -64.58 137.56 57.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.725 ' CG ' HG13 ' A' ' 133' ' ' VAL . 25.0 m-85 -120.9 -36.97 3.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 55.8 t80 -160.94 151.56 18.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.431 ' OE1' HD21 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -139.09 161.21 37.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.45 131.07 1.2 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.524 1.14 . . . . 0.0 111.048 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -44.13 111.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.835 HD21 ' CD2' ' A' ' 93' ' ' LEU . 28.0 tp -114.5 156.45 24.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 34' ' ' TYR . 11.4 mt -104.71 128.21 52.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.409 ' CD1' ' CE1' ' A' ' 48' ' ' PHE . 12.0 mm -115.99 134.87 57.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.54 ' HE2' ' CD2' ' A' ' 34' ' ' TYR . 6.5 ttpt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.688 ' HB3' HD22 ' A' ' 25' ' ' LEU . 47.8 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.523 0.201 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.683 ' C ' HD23 ' A' ' 25' ' ' LEU . 71.0 mm-40 -109.39 140.37 43.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.593 ' CE1' HD21 ' A' ' 25' ' ' LEU . 72.5 m80 -86.7 104.09 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.585 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.519 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 33.0 m-85 -127.16 139.03 53.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -64.07 92.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 108.02 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.541 HG22 ' CH2' ' A' ' 104' ' ' TRP . 23.1 m -82.71 142.94 31.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.434 ' OE1' ' CE1' ' A' ' 49' ' ' TYR . 20.5 mt-10 -135.67 123.15 22.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.613 HD21 HG21 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -91.01 118.27 30.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.404 ' HG2' HD12 ' A' ' 18' ' ' LEU . 24.1 mtm180 -138.59 127.04 23.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.15 -103.84 0.39 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.0 p -139.67 28.23 2.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 0.761 . . . . 0.0 110.377 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 61' ' ' LEU . 2.4 m -133.04 125.77 30.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.366 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.8 mt -79.01 119.35 22.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -105.64 134.0 49.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.412 ' O ' HG12 ' A' ' 58' ' ' VAL . 24.2 m-85 -118.68 129.46 55.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 56' ' ' ILE . 47.1 m-85 -118.06 156.3 28.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.473 HG23 ' HB2' ' A' ' 54' ' ' SER . 76.6 p -60.03 -51.89 67.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.414 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -157.58 -51.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.7 tttt 176.34 -36.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.406 ' O ' ' CG1' ' A' ' 55' ' ' ILE . 63.7 mmtt -85.28 8.63 17.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -59.28 -21.53 59.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.528 ' HB ' HD12 ' A' ' 56' ' ' ILE . 0.6 OUTLIER 67.81 -65.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.697 HG22 ' HD1' ' A' ' 57' ' ' TYR . 4.4 mp -92.32 -113.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.697 ' HD1' HG22 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -162.89 149.26 12.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 48' ' ' PHE . 5.5 p -82.1 -33.48 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.73 160.89 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.426 ' HD2' HG21 ' A' ' 45' ' ' THR . 6.3 pttt -139.01 175.64 9.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 45' ' ' THR . 11.7 mt -148.89 160.63 43.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -121.56 127.57 51.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.809 HD12 ' CG2' ' A' ' 112' ' ' THR . 10.3 pt -125.79 20.46 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.9 p -68.54 -32.24 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.6 19.43 20.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.661 ' HA ' HD23 ' A' ' 86' ' ' LEU . 1.1 tp -45.87 126.93 7.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -78.38 -46.4 20.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.1 m -175.8 -178.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 108.307 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.506 HD12 HD13 ' A' ' 84' ' ' LEU . 1.2 tt -131.53 126.9 36.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.401 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 36.8 p -101.37 171.84 7.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.409 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.41 129.47 35.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -135.94 113.32 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.482 ' CD1' HD11 ' A' ' 69' ' ' LEU . 4.3 p90 -144.01 154.62 43.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 91' ' ' VAL . 2.3 m -113.59 140.03 48.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.426 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 84' ' ' LEU . 1.3 mm? -85.27 114.39 22.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.5 t -93.06 118.44 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.661 HD23 ' HA ' ' A' ' 66' ' ' LEU . 4.0 mt -123.69 156.53 64.72 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.29 9.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -112.49 -55.46 2.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.599 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.0 tt0 -159.39 150.72 20.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -95.67 143.44 26.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.607 ' O ' HG23 ' A' ' 83' ' ' THR . 74.6 t -126.89 152.17 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -102.75 134.09 46.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.835 ' CD2' HD21 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -126.35 151.61 47.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.252 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.503 ' HE2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -154.02 141.99 20.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.655 HG21 ' HA2' ' A' ' 101' ' ' GLY . 39.6 p -112.06 157.5 20.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.97 -63.77 1.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -96.04 139.11 32.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -44.07 -42.4 6.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -51.94 -60.18 3.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.77 -39.08 1.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.014 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.655 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -54.09 -68.35 1.7 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.43 -37.34 16.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.78 . . . . 0.0 110.269 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.99 -67.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.838 ' O ' HD12 ' A' ' 108' ' ' ILE . 95.6 m95 -54.37 -62.19 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 108.027 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -38.19 -48.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.62 -61.27 3.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 20' ' ' PHE . 5.9 m-85 -43.64 -45.1 6.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.838 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.8 mp -65.22 -62.19 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.3 mt -45.24 -25.43 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.546 HG21 ' O ' ' A' ' 130' ' ' LEU . 99.1 m -81.14 -41.01 23.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.427 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.635 HG22 ' HA ' ' A' ' 108' ' ' ILE . 26.9 m -91.64 30.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.809 ' CG2' HD12 ' A' ' 63' ' ' ILE . 23.7 p -147.99 -44.88 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.444 ' C ' ' N ' ' A' ' 115' ' ' SER . 7.4 mt-10 -97.16 9.64 41.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.559 HD12 ' OE2' ' A' ' 137' ' ' GLU . 4.5 mp 40.04 29.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.444 ' N ' ' C ' ' A' ' 113' ' ' GLU . 5.5 t -140.86 168.36 19.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.056 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.482 HG13 ' HB2' ' A' ' 130' ' ' LEU . 56.3 t -110.5 118.08 49.68 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.12 5.94 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.489 1.784 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.1 -12.84 40.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -85.9 48.94 1.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 32.8 m -122.24 -177.84 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 122' ' ' LEU . 0.1 OUTLIER -120.9 -3.44 9.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.962 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.698 HD22 ' CB ' ' A' ' 126' ' ' GLN . 3.3 mt -45.94 171.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.767 HD22 ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -97.03 -178.69 0.77 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.552 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.08 -9.07 20.51 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -93.31 -30.7 8.98 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.549 1.156 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.698 ' CB ' HD22 ' A' ' 122' ' ' LEU . 83.8 mm-40 -86.81 -60.15 2.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.73 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.494 ' C ' ' O ' ' A' ' 126' ' ' GLN . 15.0 t -33.59 -51.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 124' ' ' PRO . 68.4 mt -41.58 -54.84 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 126' ' ' GLN . 7.4 mmmm -38.06 -59.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.546 ' O ' HG21 ' A' ' 110' ' ' THR . 5.3 mt -44.36 -48.83 9.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 128' ' ' ILE . 1.8 m-70 -57.35 -62.06 2.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.591 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -54.21 -60.37 3.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.725 HG13 ' CG ' ' A' ' 19' ' ' TYR . 74.7 t -44.21 -46.78 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.479 HD23 HG23 ' A' ' 116' ' ' VAL . 3.2 tp -54.98 -73.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -48.5 -22.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -52.35 23.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 110.251 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.559 ' OE2' HD12 ' A' ' 114' ' ' LEU . 9.8 pt-20 -73.13 -37.76 66.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 32.4 mttt -42.76 -49.29 5.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.99 -52.29 64.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 4.3 ttp85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.338 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 tp -64.24 138.67 58.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.797 ' CG ' HG13 ' A' ' 133' ' ' VAL . 17.6 m-85 -125.07 -40.3 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.554 ' HB2' ' CE2' ' A' ' 107' ' ' PHE . 7.6 t80 -161.56 149.2 14.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.04 141.41 36.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.17 143.39 4.5 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -54.2 104.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 0.743 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.771 HD21 HD23 ' A' ' 93' ' ' LEU . 14.0 tp -102.25 153.01 20.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.71 HD23 ' O ' ' A' ' 35' ' ' GLU . 13.7 mt -104.81 120.94 42.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.7 mm -113.14 131.91 63.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.652 ' HB3' HD22 ' A' ' 25' ' ' LEU . 47.7 m-85 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.487 0.184 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.71 ' O ' HD23 ' A' ' 25' ' ' LEU . 13.4 mm-40 -110.38 144.37 39.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.537 ' CE1' HD21 ' A' ' 25' ' ' LEU . 73.7 m80 -89.07 117.04 27.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.593 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.463 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 33.0 m-85 -133.79 138.22 45.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -68.46 85.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 107.988 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.424 HG22 ' CH2' ' A' ' 104' ' ' TRP . 3.6 m -82.02 146.8 29.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.412 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -135.24 127.69 30.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.567 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.8 OUTLIER -90.77 122.7 33.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.355 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.41 ' N ' HD23 ' A' ' 41' ' ' LEU . 17.5 mtp180 -142.94 127.69 18.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.23 -96.31 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.6 p -147.33 21.14 1.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 110.384 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 m -124.55 116.24 22.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.443 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.2 mt -74.73 117.37 16.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.557 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 67.4 m-85 -106.06 132.97 51.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.413 ' CE2' HD12 ' A' ' 61' ' ' LEU . 6.7 m-85 -118.45 143.89 46.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 47' ' ' PHE . 39.1 m-85 -144.42 139.24 28.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.45 HG23 ' HB ' ' A' ' 58' ' ' VAL . 5.1 p -48.83 -37.21 18.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.4 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.44 -164.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -64.43 -44.68 90.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' SER . 3.8 mmmm -50.58 -23.44 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.465 ' CB ' ' HB3' ' A' ' 49' ' ' TYR . 88.0 p -38.85 118.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.81 -56.19 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 64.2 mt -107.66 -81.91 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER 179.36 148.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.45 ' HB ' HG23 ' A' ' 50' ' ' THR . 13.1 p -85.56 -31.96 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.502 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . 0.7 OUTLIER 174.62 169.26 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -149.36 167.42 26.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.413 HD12 ' CE2' ' A' ' 48' ' ' PHE . 12.7 mt -138.05 176.74 8.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -135.82 133.55 37.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.64 HD12 HG23 ' A' ' 108' ' ' ILE . 12.1 pt -130.16 15.86 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.75 -40.26 83.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.52 18.72 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.519 ' HA ' HD23 ' A' ' 86' ' ' LEU . 1.3 tp -48.7 128.48 15.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.478 ' HB ' HG12 ' A' ' 85' ' ' VAL . 1.1 m -80.01 -33.04 39.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 169.66 -177.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 108.342 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.728 HD12 HD13 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -137.95 131.55 31.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 71' ' ' GLU . 9.1 t -117.08 -169.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.417 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.45 ' N ' ' OG1' ' A' ' 70' ' ' THR . 8.6 mt-10 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.275 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.36 114.25 13.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -133.73 114.87 13.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.482 ' CD1' HD11 ' A' ' 69' ' ' LEU . 4.1 p90 -144.8 157.77 44.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 91' ' ' VAL . 3.0 m -116.76 139.52 50.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.728 HD13 HD12 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -87.1 114.14 23.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.478 HG12 ' HB ' ' A' ' 67' ' ' THR . 46.7 t -88.22 117.81 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.736 HD12 ' O ' ' A' ' 89' ' ' GLU . 2.9 mt -121.98 156.82 59.16 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.21 9.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.462 1.769 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -113.03 -58.36 2.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.736 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.2 tt0 -156.03 148.51 23.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.81 134.02 34.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 83' ' ' THR . 73.6 t -115.69 148.17 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -104.99 140.13 38.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.771 HD23 HD21 ' A' ' 24' ' ' LEU . 1.9 mp -130.47 146.74 52.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.97 147.4 31.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.7 p -127.47 152.9 46.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -100.23 46.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 168.14 155.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 95.6 m -81.08 -25.97 36.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.438 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -63.88 -65.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.0 m -58.48 -31.42 67.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.958 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.93 -54.9 32.0 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.522 ' HB3' HD13 ' A' ' 122' ' ' LEU . 2.2 mt-10 -66.3 -37.81 86.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 0.728 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.601 ' OE1' ' CD2' ' A' ' 107' ' ' PHE . 0.1 OUTLIER -52.9 -66.34 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.827 ' O ' HD12 ' A' ' 108' ' ' ILE . 88.9 m95 -52.33 -64.59 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 108.05 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 104' ' ' TRP . 9.5 ttp180 -37.33 -42.71 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.68 -67.77 1.78 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.679 ' CE1' HG21 ' A' ' 133' ' ' VAL . 1.4 m-85 -42.42 -40.99 2.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.763 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.827 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.6 mp -65.25 -60.48 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 51.2 mt -44.65 -26.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 115' ' ' SER . 91.8 m -80.1 -42.52 23.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.454 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.648 HG22 ' HA ' ' A' ' 108' ' ' ILE . 27.3 m -90.1 29.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 63' ' ' ILE . 19.3 p -142.87 -45.59 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.442 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -88.71 -17.03 30.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 73.68 22.24 2.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.671 ' O ' HG23 ' A' ' 110' ' ' THR . 1.2 t -141.67 -157.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.6 HG13 ' HB2' ' A' ' 130' ' ' LEU . 38.9 t -137.37 127.86 15.87 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 115.72 4.36 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -89.17 -18.18 27.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -93.64 27.05 2.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.563 HG22 ' H ' ' A' ' 121' ' ' SER . 0.6 OUTLIER -82.3 -171.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.563 ' H ' HG22 ' A' ' 120' ' ' VAL . 0.4 OUTLIER -116.17 -28.82 6.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.959 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.522 HD13 ' HB3' ' A' ' 102' ' ' GLU . 1.5 tp -40.02 158.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.648 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.2 mm? -65.41 170.88 3.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.648 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.5 Cg_endo -75.03 -8.37 19.98 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.767 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -96.51 -33.89 6.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 129' ' ' LYS . 28.3 mt-30 -72.74 -48.44 38.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 110.308 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 t -43.25 -35.56 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.767 HD12 ' HA2' ' A' ' 125' ' ' GLY . 24.2 mt -52.89 -45.14 50.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 126' ' ' GLN . 5.2 mmmm -46.5 -52.03 14.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.604 HD22 ' HA ' ' A' ' 107' ' ' PHE . 5.5 mt -53.16 -46.61 68.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.401 ' HA ' HG21 ' A' ' 116' ' ' VAL . 6.4 m-70 -53.58 -52.94 58.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.56 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -66.75 -58.4 5.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.797 HG13 ' CG ' ' A' ' 19' ' ' TYR . 39.5 t -44.82 -36.79 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.402 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 5.6 tp -59.23 -70.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 138' ' ' LYS . 2.5 pt-20 -43.39 -36.44 1.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 1.7 mpt_? -58.89 -60.35 4.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.47 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 0.9 OUTLIER -63.69 -26.79 68.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.47 ' N ' ' HG2' ' A' ' 137' ' ' GLU . 15.1 mttm -52.58 -57.83 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 138' ' ' LYS . 12.7 mmtt -39.82 -46.97 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 15.2 ttp85 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HB3' ' NH1' ' A' ' 136' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.471 HD21 ' CD ' ' A' ' 21' ' ' GLU . 15.5 tp -57.28 149.41 20.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.634 ' CG ' HG13 ' A' ' 133' ' ' VAL . 21.6 m-85 -129.53 -46.5 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.521 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 9.8 t80 -150.95 150.65 31.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.471 ' CD ' HD21 ' A' ' 18' ' ' LEU . 9.3 pm0 -147.25 144.88 29.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.54 131.88 1.37 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -41.04 102.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 0.715 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.757 HD21 ' CD2' ' A' ' 93' ' ' LEU . 21.6 tp -108.07 149.1 28.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.009 HD21 ' CD2' ' A' ' 36' ' ' HIS . 11.3 mt -100.87 130.23 46.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.2 mm -113.31 130.47 67.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.564 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 9.7 tttt . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.585 ' HB3' HD22 ' A' ' 25' ' ' LEU . 60.0 m-85 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.531 0.205 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.534 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 38.7 mm-40 -101.89 135.81 42.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 1.009 ' CD2' HD21 ' A' ' 25' ' ' LEU . 11.3 m80 -88.25 120.53 29.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.632 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 29.8 m-85 -150.31 136.18 18.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' TYR . 70.6 t-105 -61.42 89.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 108.012 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.546 HG23 ' CD1' ' A' ' 48' ' ' PHE . 53.1 m -82.47 135.49 35.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.424 ' OE1' ' NH2' ' A' ' 42' ' ' ARG . 20.5 mt-10 -126.21 127.98 46.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.341 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -91.3 119.32 31.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.424 ' NH2' ' OE1' ' A' ' 40' ' ' GLU . 29.8 mtt180 -137.65 128.38 26.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 49.85 -95.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.411 HG22 ' HB ' ' A' ' 111' ' ' VAL . 7.1 p -144.65 23.78 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.1 m -126.94 119.85 27.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.8 mt -79.02 119.13 21.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -110.15 118.78 37.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.546 ' CD1' HG23 ' A' ' 39' ' ' THR . 10.1 m-85 -102.16 138.01 39.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.536 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 70.8 m-85 -132.19 168.54 17.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.8 p -79.22 -47.74 15.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 110.375 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.54 -70.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.12 -59.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.35 -31.96 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -50.58 120.63 4.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.4 mm -84.91 -50.81 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' TYR . 15.2 mm -90.67 97.57 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.536 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 49.5 p90 -37.42 133.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.4 p -55.86 -45.06 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.358 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -158.18 160.92 37.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -143.03 168.62 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 61' ' ' LEU . 11.9 mt -147.29 159.49 43.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -125.93 127.73 46.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.67 HD12 HG23 ' A' ' 108' ' ' ILE . 27.4 pt -126.46 25.96 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.3 p -69.41 -40.88 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.08 20.17 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.504 HD13 HD12 ' A' ' 84' ' ' LEU . 5.4 tp -51.2 130.88 27.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.1 m -81.27 -35.37 31.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 175.44 -173.82 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.522 HD12 HD13 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -131.69 129.95 41.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.5 p -105.83 168.21 9.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 77.1 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.58 127.45 33.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -136.02 114.48 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.521 ' CD1' HD11 ' A' ' 69' ' ' LEU . 7.1 p90 -139.09 156.79 46.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.9 m -114.63 145.13 42.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.445 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.605 HD22 ' N ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -90.67 102.07 14.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.247 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.9 t -76.92 103.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.903 HD12 ' O ' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -110.9 156.15 41.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 1.16 8.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.488 1.783 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -113.72 -59.16 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.903 ' O ' HD12 ' A' ' 86' ' ' LEU . 5.3 tt0 -155.94 149.35 24.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -88.86 144.2 26.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.4 t -132.59 138.13 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -92.83 148.43 22.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.757 ' CD2' HD21 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -136.16 133.6 37.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -144.0 141.65 30.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.645 HG22 ' CD1' ' A' ' 24' ' ' LEU . 10.0 p -114.01 -165.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.386 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.86 -68.65 0.79 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.362 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -89.07 166.44 13.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.8 m -70.55 -46.04 64.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.409 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -51.77 -64.41 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 m -42.23 -32.47 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.97 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.409 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -56.11 -63.3 5.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.145 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -53.41 -33.3 53.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 0.763 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.521 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 2.5 tt0 -52.97 -66.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.825 ' O ' HD12 ' A' ' 108' ' ' ILE . 77.3 m95 -53.16 -65.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -37.67 -41.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.37 -62.22 4.8 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.659 ' HA ' HD22 ' A' ' 130' ' ' LEU . 4.9 m-85 -52.32 -39.06 60.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 110.978 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.825 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.6 mp -65.1 -61.45 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.8 mt -44.46 -26.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 134' ' ' LEU . 64.3 m -79.15 -44.17 22.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.371 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.542 HG22 ' HA ' ' A' ' 108' ' ' ILE . 20.6 m -88.68 30.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.406 HG21 HD22 ' A' ' 66' ' ' LEU . 25.1 p -145.64 -45.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.368 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -86.79 -16.16 37.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.248 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.3 mm? 70.88 18.83 5.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' A' ' 110' ' ' THR . 0.1 OUTLIER -145.96 176.91 9.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.979 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.61 HG13 ' HB2' ' A' ' 130' ' ' LEU . 37.8 t -107.9 126.57 29.5 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.522 1.801 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -89.37 -17.65 28.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.359 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -92.55 23.06 4.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.565 HG22 ' H ' ' A' ' 121' ' ' SER . 0.7 OUTLIER -78.98 -171.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.565 ' H ' HG22 ' A' ' 120' ' ' VAL . 0.3 OUTLIER -116.97 -31.61 5.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.014 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 122' ' ' LEU . 1.2 tp -40.12 159.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.622 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.4 mm? -66.44 169.86 6.7 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.622 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.2 Cg_endo -75.0 -7.05 18.81 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.492 1.785 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.826 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -97.02 -35.17 5.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -73.21 -43.49 61.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 0.735 . . . . 0.0 110.242 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.9 -38.71 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.826 HD12 ' HA2' ' A' ' 125' ' ' GLY . 14.3 mt -47.53 -41.87 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -49.03 -50.39 36.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.659 HD22 ' HA ' ' A' ' 107' ' ' PHE . 9.9 mt -55.53 -47.21 76.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.477 ' HA ' HG21 ' A' ' 116' ' ' VAL . 9.2 m-70 -50.12 -56.58 10.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.616 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.91 -55.9 12.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.65 HG21 ' CE1' ' A' ' 107' ' ' PHE . 32.2 t -48.14 -35.07 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.533 HD11 ' HD3' ' A' ' 138' ' ' LYS . 4.8 tp -61.59 -74.93 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.417 ' O ' ' CD ' ' A' ' 139' ' ' LYS . 33.6 mt-10 -44.34 -25.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.416 ' N ' ' C ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -64.85 -38.34 90.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.536 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 1.2 pt-20 -88.77 -31.43 18.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.536 ' N ' ' HG2' ' A' ' 137' ' ' GLU . 6.6 mtmp? -53.62 -32.6 51.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.417 ' CD ' ' O ' ' A' ' 135' ' ' GLU . 1.7 mptt -63.88 -49.19 73.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 48.1 mtp85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.469 ' CG ' ' HD2' ' A' ' 136' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.77 HD12 ' CG ' ' A' ' 42' ' ' ARG . 4.7 tp -74.67 144.48 43.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.52 ' CD2' HG13 ' A' ' 133' ' ' VAL . 22.2 m-30 -116.82 -40.47 3.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 103' ' ' GLU . 9.7 t80 -158.37 156.18 30.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -152.09 132.92 14.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.545 ' HA2' ' CZ3' ' A' ' 38' ' ' TRP . . . 178.72 157.17 18.79 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.599 ' CD1' ' CE1' ' A' ' 36' ' ' HIS . 5.1 m-85 -70.85 100.8 1.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 0.721 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.687 HD21 HD23 ' A' ' 93' ' ' LEU . 7.6 tp -99.55 157.02 16.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.568 HD22 ' HB3' ' A' ' 34' ' ' TYR . 13.0 mt -108.21 124.85 50.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 mm -113.59 143.73 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HD3' ' CD2' ' A' ' 34' ' ' TYR . 24.0 ttpt . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.568 ' HB3' HD22 ' A' ' 25' ' ' LEU . 31.1 m-85 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.543 0.211 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 54.9 mt-10 -105.76 128.0 53.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.599 ' CE1' ' CD1' ' A' ' 23' ' ' PHE . 55.3 t-80 -71.85 119.2 15.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.605 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 32.5 m-85 -145.71 139.85 26.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.545 ' CZ3' ' HA2' ' A' ' 22' ' ' GLY . 60.8 t-105 -66.42 88.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.9 m -81.58 120.27 24.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -113.99 129.26 56.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 107' ' ' PHE . 0.2 OUTLIER -91.14 124.25 35.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.77 ' CG ' HD12 ' A' ' 18' ' ' LEU . 7.2 mtt180 -153.51 126.84 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 42' ' ' ARG . . . 34.71 67.03 0.28 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.699 HG22 ' HB ' ' A' ' 111' ' ' VAL . 6.2 p 40.16 58.62 2.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 110.35 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.9 m -157.07 102.61 1.98 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.43 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.3 mt -72.77 107.92 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -99.11 118.82 36.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.675 ' CZ ' HD12 ' A' ' 61' ' ' LEU . 8.1 m-85 -98.59 132.23 44.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 57' ' ' TYR . 61.0 m-85 -129.75 159.51 36.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.1 p -71.04 -35.3 71.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.89 -71.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.8 tttt -171.71 -61.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.366 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.58 -40.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.7 t -40.91 120.71 1.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -81.96 -54.93 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' TYR . 38.4 mm -87.94 93.99 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 37.1 p90 -37.91 136.69 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 48' ' ' PHE . 13.1 p -53.28 -32.77 19.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.07 157.63 1.87 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.437 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 8.0 pttt -136.07 159.16 42.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.675 HD12 ' CZ ' ' A' ' 48' ' ' PHE . 2.9 mt -127.99 168.52 15.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.54 130.14 51.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.419 ' O ' HG22 ' A' ' 112' ' ' THR . 1.2 pp -142.97 53.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.8 p -103.94 -32.31 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.31 15.39 23.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.68 ' HA ' HD23 ' A' ' 86' ' ' LEU . 11.3 tp -40.67 134.72 1.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.11 -33.27 20.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 174.13 -171.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.403 HD11 ' CD1' ' A' ' 82' ' ' PHE . 1.3 tt -137.06 126.94 25.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.509 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 24.9 p -102.52 169.26 8.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 60.8 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.401 ' O ' ' OG1' ' A' ' 95' ' ' THR . . . -102.86 115.15 30.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -126.12 115.9 20.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.509 ' CB ' ' O ' ' A' ' 70' ' ' THR . 4.2 p90 -145.92 156.64 43.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 91' ' ' VAL . 2.9 m -111.0 138.29 47.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.416 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.734 HD23 HD13 ' A' ' 93' ' ' LEU . 1.2 mm? -85.55 104.34 15.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.1 t -81.65 118.91 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.68 HD23 ' HA ' ' A' ' 66' ' ' LEU . 5.7 mt -121.64 157.76 55.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 2.09 7.02 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -114.48 -57.56 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 8.8 tt0 -154.27 156.47 37.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 7.6 mt-10 -94.92 132.12 40.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.261 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.674 ' O ' HG23 ' A' ' 83' ' ' THR . 55.6 t -115.08 150.01 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -101.4 138.8 37.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.734 HD13 HD23 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -135.33 134.34 39.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -135.62 145.98 47.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 80' ' ' ALA . 2.9 p -122.76 146.03 47.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.412 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -102.66 44.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 176.31 165.02 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.8 p -85.58 -46.9 10.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.55 -57.03 14.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.29 -34.46 33.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.37 -62.81 5.61 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -53.88 -34.57 59.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 110.337 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -58.01 -68.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.265 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.793 ' O ' HD12 ' A' ' 108' ' ' ILE . 98.5 m95 -56.28 -63.25 1.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 107.991 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 104' ' ' TRP . 4.4 ttp180 -38.11 -33.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.61 -69.47 1.38 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.547 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 10.7 m-85 -38.46 -40.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.78 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.793 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.7 mp -66.26 -62.77 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.1 mt -43.46 -26.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.547 HG21 ' O ' ' A' ' 130' ' ' LEU . 62.9 m -79.89 -43.43 22.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.455 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.699 ' HB ' HG22 ' A' ' 44' ' ' THR . 23.2 m -88.83 29.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.513 HG21 HD22 ' A' ' 66' ' ' LEU . 12.3 p -144.76 -44.18 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.393 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 114' ' ' LEU . 7.3 mt-10 -102.88 12.43 36.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.485 ' HA ' HD12 ' A' ' 114' ' ' LEU . 1.6 tp 37.32 34.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.429 ' N ' ' C ' ' A' ' 113' ' ' GLU . 0.6 OUTLIER -141.3 173.95 11.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.639 HG13 ' HB2' ' A' ' 130' ' ' LEU . 45.8 t -116.0 119.56 36.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 139.75 24.55 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.68 -5.88 18.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -92.22 29.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 17.7 m -107.05 139.21 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 122' ' ' LEU . 0.6 OUTLIER -82.61 6.71 16.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.803 HD22 ' CB ' ' A' ' 126' ' ' GLN . 3.0 mt -50.2 -177.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.591 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -110.35 -174.14 0.28 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.682 ' O ' HD12 ' A' ' 128' ' ' ILE . 18.2 Cg_endo -74.99 -19.21 18.1 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.476 1.777 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.2 -34.01 13.39 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.803 ' CB ' HD22 ' A' ' 122' ' ' LEU . 69.1 mm-40 -81.74 -61.7 1.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 0.772 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.479 ' C ' ' O ' ' A' ' 126' ' ' GLN . 24.3 t -34.19 -55.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.682 HD12 ' O ' ' A' ' 124' ' ' PRO . 53.6 mt -40.4 -54.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.475 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 10.5 mmmm -38.55 -55.99 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.639 ' HB2' HG13 ' A' ' 116' ' ' VAL . 3.7 mt -47.47 -47.38 27.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 128' ' ' ILE . 2.0 m-70 -58.71 -57.32 13.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.613 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -57.61 -59.84 4.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.607 HG12 ' OE1' ' A' ' 137' ' ' GLU . 55.9 t -43.56 -47.19 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.403 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.1 tp -52.12 -72.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.77 -34.31 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.469 ' HD2' ' CG ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -60.93 -66.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.607 ' OE1' HG12 ' A' ' 133' ' ' VAL . 1.2 pt-20 -59.95 -26.25 65.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.449 ' N ' ' HG2' ' A' ' 137' ' ' GLU . 18.0 mttm -52.14 -63.2 1.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -44.95 -50.66 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.794 HD21 ' CD ' ' A' ' 21' ' ' GLU . 9.2 tp -62.33 137.46 58.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.597 ' CG ' HG13 ' A' ' 133' ' ' VAL . 22.3 m-85 -116.82 -38.22 3.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 103' ' ' GLU . 7.3 t80 -158.44 151.77 23.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.794 ' CD ' HD21 ' A' ' 18' ' ' LEU . 12.2 pm0 -150.02 138.49 20.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.97 132.21 1.58 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 111.027 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -41.87 98.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.855 HD11 HG22 ' A' ' 95' ' ' THR . 8.9 tp -101.28 157.99 16.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.683 HD21 ' CE1' ' A' ' 36' ' ' HIS . 11.8 mt -113.21 129.68 56.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 34' ' ' TYR . 12.9 mm -118.06 137.5 51.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.594 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 18.3 ttpt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.594 ' CE1' ' HB2' ' A' ' 27' ' ' LYS . 17.2 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.504 0.193 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.569 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 11.8 mm-40 -113.88 126.63 55.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.683 ' CE1' HD21 ' A' ' 25' ' ' LEU . 77.1 m80 -70.03 130.16 41.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 17.0 m-85 -158.47 133.16 8.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.422 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 43.7 t-105 -61.6 86.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.529 HG23 ' CD1' ' A' ' 48' ' ' PHE . 90.2 m -82.6 137.34 34.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.573 ' HB2' HD11 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -139.44 140.54 37.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.579 HD22 ' HD2' ' A' ' 19' ' ' TYR . 0.9 OUTLIER -90.39 119.04 30.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.54 ' O ' ' C ' ' A' ' 43' ' ' GLY . 20.3 mtt180 -135.42 126.26 27.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 42' ' ' ARG . . . 25.07 81.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.928 HG22 ' HB ' ' A' ' 111' ' ' VAL . 71.0 p 32.92 60.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.788 . . . . 0.0 110.398 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.865 HG22 ' CE2' ' A' ' 47' ' ' PHE . 1.4 m -167.61 106.18 0.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.1 mt -74.56 127.09 32.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.865 ' CE2' HG22 ' A' ' 45' ' ' THR . 46.8 m-85 -115.77 118.01 31.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.782 ' O ' HG12 ' A' ' 58' ' ' VAL . 10.9 m-85 -95.77 115.96 28.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.548 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 64.6 m-85 -110.73 167.28 10.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.4 p -81.54 -23.36 37.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.413 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 38' ' ' TRP . 8.6 m-20 -176.81 -81.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -161.84 -59.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -41.44 -33.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.8 t -46.75 126.57 8.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.7 mt -79.56 -45.0 23.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.571 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.2 pp -113.77 127.92 70.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.548 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 35.0 p90 -55.55 136.86 49.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.782 HG12 ' O ' ' A' ' 48' ' ' PHE . 12.4 p -54.47 -31.41 23.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -176.33 158.28 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -137.17 164.76 27.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.457 ' CD1' HG11 ' A' ' 91' ' ' VAL . 6.6 mt -139.01 150.69 46.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.03 134.52 50.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.3 pt -129.44 15.69 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.6 -34.36 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.2 14.15 21.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.571 ' HA ' HD23 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -42.23 131.83 3.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -85.84 -30.98 22.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.437 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 168.98 -178.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 108.31 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.81 132.31 51.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.9 p -107.78 170.94 7.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.438 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 67.0 m . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.15 113.71 12.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -136.72 122.26 19.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -149.86 156.46 41.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 m -112.25 139.96 47.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 84' ' ' LEU . 1.2 mm? -86.37 115.11 23.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.8 t -92.97 118.63 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 89' ' ' GLU . 5.8 mt -123.89 157.73 62.31 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 1.67 7.5 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.963 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.27 -59.04 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.586 ' O ' HD12 ' A' ' 86' ' ' LEU . 10.1 tt0 -154.92 150.43 27.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -95.23 131.26 41.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.457 HG11 ' CD1' ' A' ' 61' ' ' LEU . 92.7 t -116.55 143.83 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -94.88 149.54 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.576 HD23 HD21 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -136.89 138.47 40.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -147.05 133.5 19.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.855 HG22 HD11 ' A' ' 24' ' ' LEU . 17.6 p -109.85 -177.24 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.42 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.05 -62.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -85.88 122.05 29.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.6 m -39.3 -48.5 1.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.414 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -53.04 -54.62 32.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.65 -35.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.74 -57.16 20.87 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -50.6 -32.57 19.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.622 ' OE1' ' CD2' ' A' ' 107' ' ' PHE . 0.5 OUTLIER -63.37 -67.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.87 ' O ' HD12 ' A' ' 108' ' ' ILE . 91.9 m95 -53.26 -61.96 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 104' ' ' TRP . 8.0 ttt180 -37.04 -51.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.9 -69.67 1.25 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.69 ' CE1' HG21 ' A' ' 133' ' ' VAL . 1.8 m-85 -39.36 -44.49 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.87 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.9 mp -68.06 -59.91 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.456 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 22.8 mt -46.19 -21.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.938 HG23 ' O ' ' A' ' 115' ' ' SER . 94.7 m -83.75 -58.77 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 110.415 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.928 ' HB ' HG22 ' A' ' 44' ' ' THR . 12.7 m -62.72 -11.33 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 108' ' ' ILE . 32.8 p -99.27 -59.98 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -69.58 -22.95 63.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 110.343 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 110' ' ' THR . 0.2 OUTLIER 78.29 15.34 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.938 ' O ' HG23 ' A' ' 110' ' ' THR . 0.1 OUTLIER -138.33 -158.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 97.2 t -127.53 122.64 22.79 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 135.79 19.53 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.525 1.802 . . . . 0.0 110.954 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.71 -8.77 42.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.35 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -89.62 52.98 2.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 19.1 m -127.49 135.15 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.23 -3.93 56.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.002 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.505 ' HA ' HD12 ' A' ' 122' ' ' LEU . 1.6 tp -47.35 160.62 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.616 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.2 mm? -64.9 169.56 5.26 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.616 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.03 -8.31 19.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.737 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -96.65 -34.45 5.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -73.31 -43.45 60.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.06 -33.44 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.737 HD12 ' HA2' ' A' ' 125' ' ' GLY . 34.9 mt -54.43 -47.49 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -44.17 -54.68 5.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.445 HD23 ' CD1' ' A' ' 107' ' ' PHE . 50.0 mt -48.68 -41.51 31.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -66.47 -41.3 89.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.596 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -69.45 -53.9 16.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.69 HG21 ' CE1' ' A' ' 107' ' ' PHE . 62.8 t -51.81 -42.0 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.566 HD12 ' HG3' ' A' ' 138' ' ' LYS . 5.6 tp -55.92 -65.75 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -50.31 -32.06 16.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.57 -61.82 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 1.1 pt-20 -64.24 -25.3 68.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.566 ' HG3' HD12 ' A' ' 134' ' ' LEU . 11.6 mttm -51.13 -56.99 9.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -44.48 -52.43 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.472 ' O ' ' O ' ' A' ' 18' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.901 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.776 HD23 ' H ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER 55.7 159.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.777 ' CD2' HG13 ' A' ' 133' ' ' VAL . 23.1 m-85 -144.58 -41.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.601 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 7.7 t80 -142.65 164.66 29.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.586 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 0.1 OUTLIER -161.02 109.9 1.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.43 144.32 9.41 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.413 ' CE1' ' HB2' ' A' ' 38' ' ' TRP . 8.1 m-85 -51.19 111.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.893 HD21 HD23 ' A' ' 93' ' ' LEU . 20.7 tp -112.92 152.08 29.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.851 HD22 ' HB3' ' A' ' 34' ' ' TYR . 14.8 mt -99.38 121.51 41.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.4 mm -108.93 123.79 65.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.851 ' HB3' HD22 ' A' ' 25' ' ' LEU . 77.6 m-85 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.542 0.211 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.653 ' C ' HD23 ' A' ' 25' ' ' LEU . 48.9 mt-10 -100.6 130.07 46.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.412 ' CE1' HD21 ' A' ' 25' ' ' LEU . 51.0 m80 -77.19 117.53 18.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.605 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.477 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 29.1 m-85 -137.16 138.45 40.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.586 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 75.6 t-105 -64.06 94.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.021 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.609 HG23 ' CD1' ' A' ' 48' ' ' PHE . 74.5 m -92.96 146.87 23.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.48 ' HG2' ' CB ' ' A' ' 21' ' ' GLU . 41.7 mt-10 -138.42 133.23 32.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.547 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.9 OUTLIER -90.82 116.36 28.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.577 ' HD2' ' CD1' ' A' ' 47' ' ' PHE . 84.3 mtt180 -123.73 130.12 52.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' ARG . . . 36.03 -94.49 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.558 1.161 . . . . 0.0 111.056 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 42' ' ' ARG . 3.2 p -134.03 11.01 3.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.444 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.546 HG22 ' CE1' ' A' ' 47' ' ' PHE . 8.0 m -116.46 125.7 52.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.347 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.5 mt -86.65 125.01 33.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.577 ' CD1' ' HD2' ' A' ' 42' ' ' ARG . 73.7 m-85 -115.92 129.46 56.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.609 ' CD1' HG23 ' A' ' 39' ' ' THR . 12.2 m-85 -110.64 144.3 39.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.502 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 88.9 m-85 -137.25 165.19 26.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.9 p -73.57 -47.95 36.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.403 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.456 ' O ' ' CG ' ' A' ' 38' ' ' TRP . 2.5 m-20 -144.99 -65.53 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -176.53 -54.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -43.38 -36.23 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.2 t -50.2 121.94 6.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -85.25 -54.32 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' TYR . 4.1 mp -86.51 98.61 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.502 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 51.1 p90 -37.57 133.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.1 p -55.68 -38.46 50.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -165.42 155.11 12.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.484 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 9.9 pttt -134.12 166.93 21.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.555 HD12 ' CZ ' ' A' ' 48' ' ' PHE . 6.9 mt -139.3 170.04 16.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.87 ' OD1' HG12 ' A' ' 64' ' ' VAL . 6.7 t0 -133.21 128.36 35.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.667 HG22 HD21 ' A' ' 86' ' ' LEU . 20.6 pt -133.38 28.07 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.87 HG12 ' OD1' ' A' ' 62' ' ' ASP . 14.3 p -72.91 -32.33 39.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.495 ' OD1' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -99.32 19.07 16.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.237 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.487 HD13 HD12 ' A' ' 84' ' ' LEU . 1.2 tp -44.05 130.72 6.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -85.61 -33.36 21.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 172.66 -179.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 108.282 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.541 HD12 HD13 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -130.87 128.28 40.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.458 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 32.0 p -105.29 174.16 6.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.951 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.463 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -77.05 115.1 16.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -120.54 119.02 31.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.531 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 2.9 p90 -143.44 155.8 44.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 m -112.1 134.38 53.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.595 HD23 HD13 ' A' ' 93' ' ' LEU . 1.6 mm? -80.69 108.96 14.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 44.2 t -86.97 111.15 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.945 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.2 mt -116.04 156.38 46.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.72 8.57 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.791 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -114.44 -58.08 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.945 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.2 tt0 -157.69 148.31 20.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.233 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -89.36 158.11 17.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.1 t -142.3 145.91 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -102.31 132.33 48.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.893 HD23 HD21 ' A' ' 24' ' ' LEU . 3.1 mp -119.47 161.2 20.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -154.27 155.86 35.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.465 HG22 ' CD1' ' A' ' 24' ' ' LEU . 2.6 p -133.37 173.1 11.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -83.56 -75.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.77 178.33 6.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 53.3 m -76.88 -47.68 20.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.393 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -44.81 -61.35 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 95.0 p -41.14 -46.85 3.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.995 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.463 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -46.36 -62.14 3.72 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -56.61 -33.02 65.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.601 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 2.1 mt-10 -60.05 -63.07 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.282 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.843 ' O ' HD12 ' A' ' 108' ' ' ILE . 68.7 m95 -57.02 -67.21 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 107.975 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.531 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -37.1 -68.73 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -43.77 -46.66 7.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.677 ' CE1' HG21 ' A' ' 133' ' ' VAL . 0.5 OUTLIER -65.61 -41.38 92.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 110.976 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.843 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.5 mp -65.91 -58.96 4.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 36.8 mt -46.17 -25.59 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.652 HG21 ' O ' ' A' ' 130' ' ' LEU . 82.9 m -80.77 -40.72 24.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.689 HG22 ' HA ' ' A' ' 108' ' ' ILE . 35.5 m -91.65 28.68 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.3 p -143.73 -45.71 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -86.51 -15.54 39.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 70.67 24.93 4.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.551 ' O ' HG23 ' A' ' 110' ' ' THR . 1.6 t -144.35 -160.44 1.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.444 HG13 ' HB2' ' A' ' 130' ' ' LEU . 61.7 t -133.94 122.74 16.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 145.72 31.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -106.36 -5.4 19.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -90.74 40.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.406 HG21 HG22 ' A' ' 127' ' ' VAL . 19.9 m -115.08 131.01 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.43 -10.85 59.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.483 ' HA ' HD12 ' A' ' 122' ' ' LEU . 1.5 tp -42.92 161.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.614 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.1 mm? -66.52 169.57 7.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.614 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.0 -7.67 19.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.735 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -96.75 -34.81 5.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 129' ' ' LYS . 2.3 mm100 -73.19 -45.41 56.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 110.342 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.406 HG22 HG21 ' A' ' 120' ' ' VAL . 2.1 t -46.1 -34.14 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.735 HD12 ' HA2' ' A' ' 125' ' ' GLY . 23.3 mt -56.53 -43.4 78.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 126' ' ' GLN . 5.7 mmmm -46.49 -51.77 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.652 ' O ' HG21 ' A' ' 110' ' ' THR . 14.3 mt -51.42 -42.31 61.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.416 ' HA ' HG21 ' A' ' 116' ' ' VAL . 1.2 m-70 -63.83 -48.49 76.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.635 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -64.8 -60.94 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.777 HG13 ' CD2' ' A' ' 19' ' ' TYR . 67.6 t -42.85 -40.73 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.475 ' O ' ' CG ' ' A' ' 137' ' ' GLU . 4.0 tp -56.03 -67.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.435 ' HA ' ' HB2' ' A' ' 138' ' ' LYS . 1.8 pt-20 -44.35 -41.18 5.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 1.0 OUTLIER -54.26 -52.66 60.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 134' ' ' LEU . 4.5 pt-20 -69.99 -31.54 69.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 25.8 mttm -51.21 -41.65 60.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -62.4 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 p -177.45 166.26 2.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.965 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 m -134.61 165.06 26.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.088 . . . . 0.0 110.025 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.97 140.05 8.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.118 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -169.81 152.18 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.77 . . . . 0.0 109.994 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m -123.36 98.15 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.11 159.91 10.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -111.98 128.4 56.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -113.83 90.07 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -135.84 89.31 2.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.5 mp -96.1 157.85 15.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.39 -50.13 3.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -108.48 132.82 55.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.9 m -122.43 -69.22 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -146.63 -60.85 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mp -113.54 150.43 43.22 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 133.15 16.18 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.531 1.806 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.844 HD11 ' OE1' ' A' ' 40' ' ' GLU . 15.3 tp -75.69 142.23 42.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.556 ' CD2' HG13 ' A' ' 133' ' ' VAL . 22.7 m-30 -122.98 -46.64 2.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.514 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 7.0 t80 -146.0 163.75 34.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 1.4 pt-20 -157.28 140.26 15.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.77 146.77 4.98 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -55.85 108.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.787 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.858 HD21 ' CD2' ' A' ' 93' ' ' LEU . 27.7 tp -109.39 150.01 28.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.61 HD23 ' O ' ' A' ' 35' ' ' GLU . 10.1 mt -105.52 125.73 51.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.444 ' HB ' ' CG ' ' A' ' 35' ' ' GLU . 23.6 mm -103.82 145.49 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.606 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 8.1 tttt -147.61 128.9 14.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.596 ' HG2' HG13 ' A' ' 91' ' ' VAL . 4.7 mtm105 -146.89 149.36 33.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.7 t -39.58 112.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.45 -41.26 1.92 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.577 ' CE1' ' HG2' ' A' ' 35' ' ' GLU . 6.4 m-85 -51.04 -55.89 15.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 84.74 -46.18 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 34' ' ' TYR . 8.6 mt-10 -129.31 118.54 22.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.606 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 24.1 m-85 -36.32 130.1 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.61 ' O ' HD23 ' A' ' 25' ' ' LEU . 1.4 pt-20 -89.72 149.68 22.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.542 ' O ' ' CG ' ' A' ' 37' ' ' TYR . 31.1 t-80 -103.82 134.07 47.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.622 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.561 ' CE1' HG11 ' A' ' 58' ' ' VAL . 40.9 m-85 -168.24 145.76 4.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 72.0 t-105 -72.33 92.54 1.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.465 HG23 ' CD1' ' A' ' 48' ' ' PHE . 94.7 m -81.68 139.63 34.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.844 ' OE1' HD11 ' A' ' 18' ' ' LEU . 13.3 mm-40 -127.52 130.37 49.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.479 HD21 HG21 ' A' ' 111' ' ' VAL . 0.5 OUTLIER -90.82 116.51 28.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -137.73 127.09 24.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.54 -93.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 p -146.82 19.16 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 110.352 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 61' ' ' LEU . 2.8 m -124.95 125.19 43.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.422 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.6 mt -82.2 123.46 29.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -110.4 120.01 41.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 61' ' ' LEU . 8.6 m-85 -98.9 129.97 45.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.519 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 64.7 m-85 -123.54 177.12 5.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.6 p -110.69 -30.33 7.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.411 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -161.07 155.61 23.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -34.35 69.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -47.84 84.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 m -49.89 133.38 22.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.3 mp -99.53 -38.72 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.5 mm -95.98 114.69 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.519 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 42.0 p90 -57.72 128.94 39.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.561 HG11 ' CE1' ' A' ' 37' ' ' TYR . 15.0 p -50.78 -34.49 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.37 157.73 11.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -136.5 159.42 41.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 45' ' ' THR . 1.4 mt -120.54 -161.91 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -161.31 128.81 4.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.439 HD12 ' CG2' ' A' ' 112' ' ' THR . 1.2 pp -138.94 40.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.361 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.3 p -86.12 -33.24 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.14 17.37 17.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.409 HD13 HD12 ' A' ' 84' ' ' LEU . 1.5 tp -42.14 133.23 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.93 -27.97 19.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.377 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 167.94 -179.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 108.277 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tt -132.44 128.53 37.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.9 p -105.79 163.01 13.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.366 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -125.24 146.43 49.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -117.63 116.5 27.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.27 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -46.81 -63.07 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.248 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 m 49.1 88.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.8 p -81.57 97.25 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -169.74 -59.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -129.75 139.73 51.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -79.37 83.7 5.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 9.0 m -135.67 173.59 11.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 108.332 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.575 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -100.29 117.88 35.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -130.52 113.52 14.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.447 ' CD2' ' HG3' ' A' ' 105' ' ' ARG . 3.7 p90 -135.35 155.67 50.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.3 m -109.99 134.97 51.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.356 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.552 ' CD2' HD13 ' A' ' 93' ' ' LEU . 1.7 mm? -84.35 105.77 15.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.1 t -83.98 119.68 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.88 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.5 mt -121.83 157.88 56.09 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.04 8.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -114.92 -58.43 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.88 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.1 tt0 -157.39 151.37 24.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.53 153.38 20.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.596 HG13 ' HG2' ' A' ' 28' ' ' ARG . 38.3 t -140.37 144.79 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -92.46 147.27 23.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.858 ' CD2' HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -139.19 150.22 45.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -154.52 157.56 38.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.617 HG21 ' HA2' ' A' ' 101' ' ' GLY . 67.6 p -122.41 -161.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -95.57 -41.28 9.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -144.36 171.31 14.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.85 -36.67 70.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.432 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -52.9 -69.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.5 m -44.56 -50.6 9.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.617 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -44.78 -69.79 0.69 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.426 ' HB3' HD13 ' A' ' 122' ' ' LEU . 0.5 OUTLIER -44.48 -34.58 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 110.266 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.514 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 1.9 mt-10 -64.26 -61.51 2.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.838 ' O ' HD12 ' A' ' 108' ' ' ILE . 85.2 m95 -55.16 -64.2 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.009 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.447 ' HG3' ' CD2' ' A' ' 82' ' ' PHE . 4.1 ttp180 -37.96 -57.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -58.03 -56.24 26.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.599 ' CE1' HG21 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -51.11 -42.28 60.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 0.791 . . . . 0.0 111.026 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.838 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.4 mp -65.54 -58.2 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 35.5 mt -46.17 -25.72 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.567 HG21 ' O ' ' A' ' 130' ' ' LEU . 82.0 m -81.17 -40.3 24.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.376 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.737 HG22 ' HA ' ' A' ' 108' ' ' ILE . 33.1 m -91.75 29.62 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.439 ' CG2' HD12 ' A' ' 63' ' ' ILE . 19.5 p -143.47 -48.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.441 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.17 -9.1 58.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 64.49 23.56 12.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.519 ' O ' HG23 ' A' ' 110' ' ' THR . 0.1 OUTLIER -141.9 -156.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.001 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 97.1 t -135.53 127.97 17.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 127.52 10.75 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.474 1.776 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -99.64 3.95 45.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -109.85 57.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.42 HG12 ' OE2' ' A' ' 102' ' ' GLU . 0.9 OUTLIER -123.74 -173.84 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.5 -0.18 8.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.471 ' HA ' HD12 ' A' ' 122' ' ' LEU . 0.3 OUTLIER -56.19 -176.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.561 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -110.12 -176.58 0.4 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.561 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.1 Cg_endo -75.06 -20.05 17.13 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.418 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -86.19 -19.91 56.23 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.454 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 8.4 mm-40 -95.22 -42.2 8.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.7 t -52.81 -46.33 51.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.418 HD12 ' HA2' ' A' ' 125' ' ' GLY . 48.4 mt -40.31 -50.78 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -47.01 -54.02 11.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.567 ' O ' HG21 ' A' ' 110' ' ' THR . 43.1 mt -50.35 -44.45 54.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -63.43 -51.9 63.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.624 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.57 -57.13 14.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.599 HG21 ' CE1' ' A' ' 107' ' ' PHE . 55.3 t -47.02 -43.31 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.463 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.7 tp -57.65 -69.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -45.22 -31.87 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.346 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.72 -51.34 65.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -72.31 -26.04 61.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.316 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.463 ' HG3' HD12 ' A' ' 134' ' ' LEU . 23.8 mttt -52.43 -54.61 29.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.23 -44.43 22.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -47.78 -40.96 22.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -47.4 -34.29 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 95.7 mt -43.27 -79.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -97.81 78.59 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 33.2 t -124.53 -53.57 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -44.42 160.05 0.11 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.92 2.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 13.3 p -72.76 96.95 2.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 75.6 m 64.43 163.44 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.77 169.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 0.738 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -173.37 159.0 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.027 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.4 -92.51 0.09 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m 61.64 89.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 0.0 109.992 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.99 111.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.58 -93.19 0.25 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 46.74 76.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 110.322 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.59 113.99 15.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -54.73 -55.28 31.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 64.81 105.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.35 165.4 19.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mp -101.82 123.54 55.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 m -117.46 81.66 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.404 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -140.4 143.69 35.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 5.7 mt -43.58 141.99 1.94 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.365 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.0 115.49 4.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.718 HD13 ' C ' ' A' ' 18' ' ' LEU . 1.4 tm? -59.52 135.12 57.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.558 ' CD2' HG13 ' A' ' 133' ' ' VAL . 23.1 m-30 -115.18 -24.34 8.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -176.79 144.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 110.986 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.98 123.3 9.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.24 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.67 136.45 3.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -44.11 99.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.797 HD21 HD23 ' A' ' 93' ' ' LEU . 21.2 tp -106.68 148.31 28.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.772 HD22 ' HB3' ' A' ' 34' ' ' TYR . 11.2 mt -96.48 127.08 42.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.433 ' O ' ' CD2' ' A' ' 31' ' ' TYR . 14.4 mm -114.45 134.85 56.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -136.33 68.3 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.98 -80.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -161.28 -55.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -70.79 -14.02 72.51 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.433 ' CD2' ' O ' ' A' ' 26' ' ' ILE . 4.9 m-85 -55.04 112.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.47 -24.23 19.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -178.13 148.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.772 ' HB3' HD22 ' A' ' 25' ' ' LEU . 48.6 m-85 -37.49 123.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.633 ' C ' HD23 ' A' ' 25' ' ' LEU . 61.9 mm-40 -102.66 138.17 39.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.741 ' CD2' HD21 ' A' ' 25' ' ' LEU . 40.5 m80 -88.37 99.14 12.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.611 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 31.3 m-85 -121.79 138.81 54.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -65.81 87.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 80.4 m -82.61 137.52 34.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.391 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -128.99 130.76 47.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.437 HD22 ' HD2' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -90.91 117.16 29.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -140.64 128.56 21.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.32 -95.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 p -150.16 20.21 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 0.739 . . . . 0.0 110.408 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 61' ' ' LEU . 3.3 m -124.38 119.68 29.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.42 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.9 mt -73.52 113.52 10.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.365 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' A' ' 45' ' ' THR . 83.5 m-85 -101.58 122.28 43.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -102.33 142.49 33.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.544 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 73.4 m-85 -138.91 159.04 43.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.8 p -86.86 -31.51 20.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.391 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -164.5 170.12 16.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -62.96 -45.05 94.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -51.0 -51.08 56.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.8 m -44.34 124.78 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.5 mm -88.55 -50.09 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mp -82.75 140.51 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.544 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 55.1 p90 -78.49 126.48 30.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.05 -43.14 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.343 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.07 156.94 33.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -138.93 162.48 34.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.758 ' O ' HG23 ' A' ' 45' ' ' THR . 10.8 mt -140.58 176.22 8.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.991 ' OD1' HG12 ' A' ' 64' ' ' VAL . 13.5 t70 -141.11 126.85 19.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.606 HG22 HD21 ' A' ' 86' ' ' LEU . 39.7 pt -126.91 30.28 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.991 HG12 ' OD1' ' A' ' 62' ' ' ASP . 13.4 p -73.04 -32.09 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -94.79 18.51 11.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.625 HD13 HD12 ' A' ' 84' ' ' LEU . 5.3 tp -40.2 133.05 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.441 ' O ' ' CB ' ' A' ' 68' ' ' CYS . 1.2 m -91.2 -28.05 18.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.413 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 67' ' ' THR . 0.8 OUTLIER 164.44 -179.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 108.294 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.663 HD11 ' CD1' ' A' ' 82' ' ' PHE . 1.6 tt -145.05 136.03 24.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.599 HG23 ' NE2' ' A' ' 72' ' ' GLN . 15.3 t -131.71 -161.89 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.37 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -129.41 133.85 47.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.599 ' NE2' HG23 ' A' ' 70' ' ' THR . 17.8 mp0 -99.17 125.1 44.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -72.88 142.25 47.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.93 -59.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 55.4 m -118.52 127.41 53.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.422 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -50.12 173.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.257 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.01 130.23 3.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 178.2 -49.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.463 ' HA ' ' CA ' ' A' ' 98' ' ' THR . 31.2 p -142.37 168.93 18.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.583 1.177 . . . . 0.0 108.289 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.752 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -92.26 126.94 37.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -133.07 115.17 14.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.663 ' CD1' HD11 ' A' ' 69' ' ' LEU . 5.9 p90 -139.45 157.17 46.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.44 ' HG1' ' CD ' ' A' ' 72' ' ' GLN . 7.0 m -114.28 120.63 41.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.433 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.625 HD12 HD13 ' A' ' 66' ' ' LEU . 3.1 mm? -72.01 105.2 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.2 t -79.64 118.1 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.922 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.3 mt -121.13 157.62 54.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.72 8.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -114.83 -58.81 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.922 ' O ' HD12 ' A' ' 86' ' ' LEU . 8.3 tt0 -156.68 149.06 23.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -87.24 145.02 26.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.4 t -125.27 141.39 45.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -101.92 136.52 41.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.797 HD23 HD21 ' A' ' 24' ' ' LEU . 6.0 mp -126.29 151.98 46.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -148.46 142.64 26.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.768 HG21 ' HA2' ' A' ' 101' ' ' GLY . 33.1 p -118.86 165.23 14.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.63 -50.48 20.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 110.266 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -123.65 136.28 54.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.463 ' CA ' ' HA ' ' A' ' 79' ' ' CYS . 8.5 t -38.49 -45.7 1.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -45.71 -66.44 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.1 t -40.82 -48.22 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.768 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -45.18 -59.32 4.62 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.41 -41.34 19.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.09 -65.83 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.896 ' O ' HD12 ' A' ' 108' ' ' ILE . 68.7 m95 -51.15 -65.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 108.045 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 104' ' ' TRP . 9.4 ttp180 -37.29 -66.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -48.21 -50.38 22.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.52 ' CE1' HG21 ' A' ' 133' ' ' VAL . 1.1 m-85 -57.47 -41.15 80.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.896 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.4 mp -64.89 -60.02 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.6 mt -45.44 -26.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.524 HG21 ' O ' ' A' ' 130' ' ' LEU . 99.0 m -79.84 -40.69 27.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.704 HG22 ' HA ' ' A' ' 108' ' ' ILE . 34.2 m -91.66 29.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 24.9 p -147.92 -45.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.409 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.36 -12.11 50.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 110.329 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 64.45 26.27 13.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.261 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 110' ' ' THR . 0.2 OUTLIER -144.49 -162.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.979 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 60.8 t -132.47 122.9 18.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.52 5.3 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.801 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -90.85 30.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -134.47 51.14 2.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.2 m -121.58 138.06 53.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -69.89 -9.83 56.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.444 ' HA ' HD12 ' A' ' 122' ' ' LEU . 0.4 OUTLIER -50.95 -179.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.752 ' O ' HG23 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -109.05 -175.73 0.36 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.579 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -75.02 -19.95 17.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.49 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -83.38 -22.85 55.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.413 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 6.9 mm100 -94.68 -43.48 8.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 123' ' ' LEU . 54.0 t -52.31 -43.9 41.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.49 HD12 ' HA2' ' A' ' 125' ' ' GLY . 30.0 mt -41.56 -50.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -44.54 -55.35 5.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.524 ' O ' HG21 ' A' ' 110' ' ' THR . 19.6 mt -48.23 -46.42 35.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -61.94 -46.3 89.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.598 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -64.15 -59.61 4.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.558 HG13 ' CD2' ' A' ' 19' ' ' TYR . 56.1 t -44.89 -44.22 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.521 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.6 tp -55.51 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -47.33 -35.08 7.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.35 -51.98 66.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 2.0 pt-20 -71.73 -26.26 62.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.521 ' HG3' HD12 ' A' ' 134' ' ' LEU . 19.0 mttm -52.58 -55.17 24.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 142' ' ' ILE . 0.3 OUTLIER -45.7 -50.36 13.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -41.25 -43.2 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.0 -38.31 7.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 139' ' ' LYS . 94.6 mt -43.27 -78.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.4 -56.04 26.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.1 m -73.19 93.06 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -89.48 161.59 29.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 70.29 5.36 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 52.8 p -96.47 148.94 22.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 47.5 t -96.68 163.48 12.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -175.3 97.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 0.0 110.015 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 p -128.32 164.59 22.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.21 72.88 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.66 126.4 29.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -121.98 -57.84 1.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.016 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.33 98.49 1.62 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -122.42 92.36 3.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.578 0.81 . . . . 0.0 110.319 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.2 112.65 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -71.71 102.03 2.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 mt -83.89 142.25 30.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -146.32 138.59 25.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mp 65.21 142.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.8 m -160.42 131.29 5.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.63 104.54 9.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 43' ' ' GLY . 4.0 mt -144.56 115.05 5.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 111.48 3.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.772 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.714 HD13 ' C ' ' A' ' 18' ' ' LEU . 1.4 tm? -56.49 135.87 54.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.528 ' N ' HD13 ' A' ' 18' ' ' LEU . 21.7 m-30 -114.07 -26.13 8.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -176.09 144.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.403 ' OE2' HD11 ' A' ' 18' ' ' LEU . 1.2 pm0 -143.52 140.13 30.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.97 125.31 0.85 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.423 ' CG ' ' NE2' ' A' ' 36' ' ' HIS . 7.4 m-85 -37.53 98.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 0.791 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.617 ' CD1' HG22 ' A' ' 95' ' ' THR . 20.3 tp -100.99 150.05 23.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.894 HD23 ' O ' ' A' ' 35' ' ' GLU . 5.9 mt -101.95 124.98 48.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.524 HG13 ' CE1' ' A' ' 48' ' ' PHE . 11.4 mm -112.88 137.33 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.524 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -140.59 63.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.702 ' HD3' HD11 ' A' ' 61' ' ' LEU . 9.6 mtm105 -60.02 174.78 0.46 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.41 90.9 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.038 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 148.39 -44.3 0.77 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.46 ' CE1' ' HG3' ' A' ' 28' ' ' ARG . 26.2 m-85 -44.47 121.16 2.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -24.25 67.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -174.95 150.35 1.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.563 ' HB3' HD22 ' A' ' 25' ' ' LEU . 50.6 m-85 -44.24 127.53 5.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 111.045 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.894 ' O ' HD23 ' A' ' 25' ' ' LEU . 49.9 mm-40 -103.6 149.84 24.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.423 ' NE2' ' CG ' ' A' ' 23' ' ' PHE . 50.0 t-80 -97.02 103.55 15.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.578 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.501 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 48.3 m-85 -130.34 148.08 52.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' TYR . 74.4 t-105 -72.83 90.84 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.583 HG23 ' CD1' ' A' ' 48' ' ' PHE . 46.0 m -85.04 137.11 33.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.391 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -133.6 133.61 42.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.441 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.8 OUTLIER -90.88 116.37 28.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.409 ' HB3' HD13 ' A' ' 16' ' ' LEU . 5.0 mtt180 -134.89 127.02 29.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.462 ' N ' HD22 ' A' ' 16' ' ' LEU . . . 56.09 -103.92 0.29 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.826 HG21 HH22 ' A' ' 141' ' ' ARG . 2.5 p -138.7 14.97 2.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 110.37 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.78 HG23 ' O ' ' A' ' 61' ' ' LEU . 1.5 m -123.99 125.2 44.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.2 mt -76.04 125.71 29.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.421 ' CD2' ' O ' ' A' ' 45' ' ' THR . 91.3 m-85 -114.31 120.01 38.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.583 ' CD1' HG23 ' A' ' 39' ' ' THR . 38.4 m-85 -101.17 137.57 39.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.439 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 75.9 m-85 -130.65 166.69 20.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.508 HG23 ' HB ' ' A' ' 58' ' ' VAL . 62.2 p -97.06 -31.63 12.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.443 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -159.44 175.16 13.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -79.94 -21.64 43.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -76.91 -18.89 58.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -75.72 135.77 40.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 110.037 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.4 mm -95.66 -47.12 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.4 mt -88.52 134.39 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.439 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 50.8 p90 -74.12 130.92 40.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.508 ' HB ' HG23 ' A' ' 50' ' ' THR . 12.0 p -53.06 -37.79 27.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -164.38 156.93 16.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -136.35 164.79 27.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.78 ' O ' HG23 ' A' ' 45' ' ' THR . 8.1 mt -136.36 178.62 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.33 133.62 28.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.736 HG22 HD21 ' A' ' 86' ' ' LEU . 5.2 pt -134.46 14.55 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.82 -31.18 50.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.89 11.82 36.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.598 ' HA ' HD23 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -41.52 127.02 3.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -77.21 -43.81 32.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -179.11 -178.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 108.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.7 HD11 ' CD1' ' A' ' 82' ' ' PHE . 2.2 tt -135.86 125.6 25.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.8 p -99.01 -168.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -129.68 163.09 26.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.489 ' OE1' ' CA ' ' A' ' 82' ' ' PHE . 4.1 mp0 -121.32 130.81 53.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -55.55 147.73 17.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.7 -61.21 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.9 m 62.9 121.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 72.44 -58.47 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.11 124.77 21.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -96.35 88.29 4.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -149.62 179.9 7.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.694 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -124.71 121.07 33.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 72' ' ' GLN . 20.0 mtpt -134.16 115.48 14.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.7 ' CD1' HD11 ' A' ' 69' ' ' LEU . 8.9 p90 -140.39 153.05 46.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 91' ' ' VAL . 2.6 m -109.21 145.67 35.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.393 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.767 ' CD2' HD13 ' A' ' 93' ' ' LEU . 0.7 OUTLIER -92.27 116.16 28.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 28.9 t -92.58 121.85 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.957 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.3 mt -124.6 157.88 63.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.21 9.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -114.58 -55.99 2.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.957 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.9 tt0 -160.44 149.16 16.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -88.99 154.88 19.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.685 ' O ' HG23 ' A' ' 83' ' ' THR . 41.6 t -135.89 156.86 38.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -102.59 143.06 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.767 HD13 ' CD2' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -133.3 128.38 35.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.418 ' HE2' HD13 ' A' ' 25' ' ' LEU . 6.6 tttt -141.5 142.63 33.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.617 HG22 ' CD1' ' A' ' 24' ' ' LEU . 13.1 p -119.24 -159.23 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -96.33 -67.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -109.05 169.65 8.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.57 -40.49 97.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.372 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -48.4 -61.33 2.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -23.04 34.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.694 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -68.72 -62.96 3.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -53.2 -26.6 18.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.605 ' OE1' ' CD2' ' A' ' 107' ' ' PHE . 1.2 mm-40 -63.38 -69.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.85 ' O ' HD12 ' A' ' 108' ' ' ILE . 93.9 m95 -53.16 -56.74 14.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 108.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.538 ' NH1' ' CD2' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -41.28 -41.8 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.9 -57.09 3.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.565 1.166 . . . . 0.0 110.976 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.605 ' CD2' ' OE1' ' A' ' 103' ' ' GLU . 2.2 m-85 -46.21 -42.69 14.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.85 HD12 ' O ' ' A' ' 104' ' ' TRP . 2.0 mp -67.91 -59.01 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.4 mt -44.69 -26.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.656 HG21 ' O ' ' A' ' 130' ' ' LEU . 94.0 m -78.6 -42.17 29.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.37 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.664 HG22 ' HA ' ' A' ' 108' ' ' ILE . 33.8 m -91.59 30.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.445 ' CG2' HD12 ' A' ' 63' ' ' ILE . 30.2 p -149.26 -45.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.422 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -88.19 -6.99 57.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.653 HD21 ' HE ' ' A' ' 141' ' ' ARG . 2.5 mm? 57.93 23.83 10.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 110' ' ' THR . 3.6 t -139.18 -169.95 2.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 62.0 t -128.4 120.33 20.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 122.74 7.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.522 1.801 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.33 -11.62 34.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -93.22 64.44 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.1 m -132.48 166.66 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.84 -6.15 40.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.967 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.471 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.2 OUTLIER -55.36 -178.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.557 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -109.43 -176.34 0.39 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.01 -15.15 20.88 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.526 1.803 . . . . 0.0 110.959 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.786 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -91.23 -27.13 19.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.471 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 14.1 mm-40 -85.93 -35.24 20.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.9 t -60.49 -33.34 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.786 HD12 ' HA2' ' A' ' 125' ' ' GLY . 37.8 mt -49.16 -49.48 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.432 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 7.2 mmmm -46.62 -56.59 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.656 ' O ' HG21 ' A' ' 110' ' ' THR . 11.3 mt -47.59 -44.79 26.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -63.14 -54.75 32.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.598 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -58.3 -60.37 3.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.467 HG13 ' CG ' ' A' ' 19' ' ' TYR . 61.3 t -43.1 -45.88 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.578 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.3 tp -55.44 -70.85 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -46.65 -32.58 3.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -62.57 -44.5 96.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 4.0 pt-20 -80.14 -28.57 38.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.578 ' HG3' HD12 ' A' ' 134' ' ' LEU . 31.7 mttt -51.18 -41.32 60.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.43 -65.89 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.81 -50.5 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.358 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.826 HH22 HG21 ' A' ' 44' ' ' THR . 23.8 mmt-85 -43.93 -44.53 7.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 10.8 mt -44.42 -80.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 145' ' ' GLY . 6.9 mt-10 -39.54 -55.69 1.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.4 t 69.86 -60.93 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 143' ' ' GLU . . . 94.6 -157.92 22.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 112.64 3.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 75.3 m 55.68 171.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.0 137.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.148 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.553 1.158 . . . . 0.0 111.032 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 p -130.66 85.64 2.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 0.745 . . . . 0.0 109.963 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.3 t -178.69 102.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.037 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.67 167.9 38.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.7 m -77.15 158.7 30.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -76.02 -55.28 5.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.038 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.22 -102.76 2.45 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.52 175.01 8.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 0.801 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.79 133.48 23.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.73 88.17 2.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.65 -179.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.8 pttt -131.3 134.77 46.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 tt -40.8 134.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 14' ' ' THR . 16.3 m 58.92 64.91 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.99 145.6 25.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 mt -62.55 145.57 94.84 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 117.75 5.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.827 HD21 ' CD ' ' A' ' 21' ' ' GLU . 8.0 tp -73.28 142.02 47.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.443 ' CG ' HG13 ' A' ' 133' ' ' VAL . 20.7 m-85 -122.63 -52.09 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.6 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 2.9 t80 -144.2 159.48 42.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.827 ' CD ' HD21 ' A' ' 18' ' ' LEU . 5.1 pm0 -162.06 122.18 2.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.49 135.78 3.6 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -38.93 100.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.006 HD21 HD23 ' A' ' 93' ' ' LEU . 21.0 tp -106.98 154.24 21.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.961 HD21 ' CD2' ' A' ' 36' ' ' HIS . 9.2 mt -101.31 127.12 48.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.5 mm -114.88 130.06 69.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 1.1 ttmt -132.99 75.85 1.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.574 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -54.06 -169.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.1 t -67.69 -40.33 84.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.97 70.98 0.21 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.574 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 1.1 m-85 -129.63 109.4 10.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 0.733 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -40.27 -28.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 31' ' ' TYR . 3.4 pt-20 175.23 165.46 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 61.4 m-85 -51.67 120.63 5.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.544 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 55.5 mm-40 -102.23 132.85 47.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.961 ' CD2' HD21 ' A' ' 25' ' ' LEU . 32.5 m80 -81.77 107.96 14.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.544 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 24.7 m-85 -132.46 140.66 48.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' TYR . 74.0 t-105 -67.58 90.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 107.977 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 55.4 m -83.32 136.35 34.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -123.92 125.34 44.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 107' ' ' PHE . 0.4 OUTLIER -90.98 116.41 28.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' THR . 25.6 mtt180 -136.88 127.02 26.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.35 -91.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.429 1.081 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.822 HG21 HH22 ' A' ' 141' ' ' ARG . 1.4 p -148.5 45.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.4 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 78.0 m -146.16 117.04 7.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.421 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 19.0 mt -78.89 100.05 7.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -87.95 121.56 30.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.441 ' O ' HG12 ' A' ' 58' ' ' VAL . 15.9 m-85 -104.49 131.83 51.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.401 ' O ' ' N ' ' A' ' 38' ' ' TRP . 66.0 m-85 -128.43 159.39 35.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.6 p -74.68 -27.36 60.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.354 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -167.54 -70.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.405 ' C ' ' N ' ' A' ' 54' ' ' SER . 7.7 ttpt -172.2 -61.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.41 -31.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 52' ' ' LYS . 19.6 t -54.1 120.15 6.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -85.05 -55.19 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.0 mt -85.85 97.4 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -37.39 136.94 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 48' ' ' PHE . 8.9 p -58.43 -36.06 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -169.79 153.96 5.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 24.4 pttt -134.32 163.2 30.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.3 mt -146.5 175.48 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.8 149.7 40.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.717 HD12 ' CG2' ' A' ' 112' ' ' THR . 7.2 pt -129.67 17.32 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.565 HG12 ' HB ' ' A' ' 44' ' ' THR . 16.5 m -62.8 -31.9 53.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.19 12.07 37.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.621 HD22 ' HB ' ' A' ' 112' ' ' THR . 0.5 OUTLIER -41.86 129.9 3.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.501 ' HB ' HG12 ' A' ' 85' ' ' VAL . 1.1 m -86.82 -31.3 20.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 167.3 -179.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 108.276 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.54 144.03 51.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 10.5 p -114.28 164.86 13.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -129.2 151.66 49.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 110.266 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -120.5 117.97 29.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -72.64 129.51 38.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.37 162.03 14.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.063 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.5 t -97.87 -14.17 20.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.387 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.502 ' O ' ' CE ' ' A' ' 77' ' ' LYS . 1.1 tm-20 -146.71 159.84 42.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.502 ' CE ' ' O ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER 39.63 -152.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -137.73 123.79 20.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 76.6 m -132.49 164.55 26.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 108.305 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.441 ' HB3' ' OG1' ' A' ' 95' ' ' THR . . . -112.17 113.75 26.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -136.54 113.51 10.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.494 ' CB ' ' O ' ' A' ' 70' ' ' THR . 5.9 p90 -141.09 157.51 45.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.8 m -117.5 137.91 52.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.562 HD22 ' N ' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -86.38 109.32 18.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.501 HG12 ' HB ' ' A' ' 67' ' ' THR . 56.9 t -85.49 120.72 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 89' ' ' GLU . 2.2 mt -125.5 156.71 70.09 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 0.57 8.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -113.11 -58.07 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.76 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.7 tt0 -156.69 150.07 24.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -89.46 136.13 33.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.6 t -117.75 138.77 47.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -100.85 138.47 37.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 1.006 HD23 HD21 ' A' ' 24' ' ' LEU . 5.4 mp -126.71 160.75 29.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.773 ' NZ ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -152.24 135.18 15.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.675 HG22 ' CD1' ' A' ' 24' ' ' LEU . 69.7 p -119.35 -36.53 3.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 95' ' ' THR . 4.7 mt-10 77.85 -53.91 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -82.55 131.53 35.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 m -59.77 -48.5 81.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -46.97 -68.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.84 -41.8 78.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.048 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.514 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -52.35 -62.76 5.46 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' A' ' 121' ' ' SER . 0.7 OUTLIER -57.25 -31.66 65.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.6 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 3.7 mt-10 -60.45 -68.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.517 ' HE3' HD11 ' A' ' 108' ' ' ILE . 88.1 m95 -48.59 -64.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 108.032 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -39.34 -36.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.91 -56.22 4.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.667 ' CE2' HG21 ' A' ' 133' ' ' VAL . 10.3 m-85 -53.1 -39.4 63.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.784 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.634 ' HA ' HG22 ' A' ' 111' ' ' VAL . 1.5 mp -70.65 -59.89 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 43.4 mt -44.51 -25.98 0.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.522 HG21 ' O ' ' A' ' 130' ' ' LEU . 90.2 m -79.74 -41.73 26.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.376 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.634 HG22 ' HA ' ' A' ' 108' ' ' ILE . 31.0 m -90.65 29.29 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.717 ' CG2' HD12 ' A' ' 63' ' ' ILE . 18.0 p -146.51 -44.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.81 -15.57 44.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 68.7 29.04 5.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.521 ' O ' HG23 ' A' ' 110' ' ' THR . 0.1 OUTLIER -154.54 -160.5 1.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.404 HG23 HD23 ' A' ' 134' ' ' LEU . 86.0 t -128.0 127.09 23.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 130.04 12.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.771 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -93.8 -14.6 26.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -89.31 59.93 5.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 1.4 m -128.84 147.13 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.416 ' N ' ' OE1' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -86.9 -8.64 57.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.064 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -51.86 -179.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.704 ' O ' HG23 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -108.74 -175.95 0.38 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.2 Cg_endo -75.05 -16.0 20.32 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.528 1.804 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.7 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -86.94 -29.17 23.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.425 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 5.7 mm100 -86.63 -40.05 15.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 123' ' ' LEU . 48.1 t -54.4 -39.09 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.7 HD12 ' HA2' ' A' ' 125' ' ' GLY . 28.1 mt -42.86 -48.97 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.663 ' O ' HG23 ' A' ' 133' ' ' VAL . 5.7 mmmm -52.23 -45.56 65.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.522 ' O ' HG21 ' A' ' 110' ' ' THR . 45.5 mt -60.53 -35.01 74.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -75.7 -54.05 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.643 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.42 ' OE2' ' CG2' ' A' ' 128' ' ' ILE . 44.4 mt-10 -59.83 -48.64 80.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.667 HG21 ' CE2' ' A' ' 107' ' ' PHE . 54.3 t -53.6 -41.45 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.566 HD11 ' HE3' ' A' ' 138' ' ' LYS . 3.3 tp -60.02 -67.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -51.08 -23.01 2.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 3.6 mmt180 -71.15 -52.87 16.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.478 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 1.0 OUTLIER -71.3 -27.84 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.566 ' HE3' HD11 ' A' ' 134' ' ' LEU . 30.8 mttt -55.41 -41.82 73.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -65.85 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 9.6 mtp85 -45.36 -54.11 7.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.822 HH22 HG21 ' A' ' 44' ' ' THR . 23.9 mmt-85 -38.82 -47.33 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.7 mt -43.76 -79.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -39.22 -60.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 31.9 m -41.36 -58.21 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 160.69 177.4 33.76 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 164.35 33.48 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.437 1.756 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.09 145.62 42.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.995 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.67 -58.12 2.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.8 p -171.04 148.52 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.967 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 t -176.81 93.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.95 101.14 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -145.31 158.0 43.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 0.805 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.45 147.42 45.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 110.048 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.87 116.1 1.22 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -123.83 88.67 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -148.31 142.44 26.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -120.04 89.5 3.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 11' ' ' LEU . 3.4 mm? -58.23 155.59 11.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -107.44 93.28 4.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 mp -86.93 126.97 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.521 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 93.5 m -151.89 117.7 5.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 72.84 -74.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mt -137.18 132.1 17.91 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 110.25 3.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.727 HD13 ' C ' ' A' ' 18' ' ' LEU . 1.4 tm? -65.17 136.05 56.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.889 ' CG ' HG13 ' A' ' 133' ' ' VAL . 19.4 m-85 -113.21 -26.88 8.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.471 ' HB2' ' CE2' ' A' ' 107' ' ' PHE . 11.3 t80 -177.08 148.6 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 1.4 pt-20 -145.68 129.52 17.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.62 148.9 11.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.6 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 5.0 m-85 -58.19 99.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.709 HD21 ' CD2' ' A' ' 93' ' ' LEU . 15.2 tp -99.87 149.5 23.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.63 HD23 ' O ' ' A' ' 35' ' ' GLU . 11.0 mt -101.71 121.06 41.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.569 HG13 ' CE1' ' A' ' 48' ' ' PHE . 12.6 mm -110.05 139.31 33.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.562 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 3.8 tttt -128.47 89.67 2.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.584 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -74.72 -167.21 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.0 p -80.44 -48.54 12.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.34 -20.88 79.52 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.584 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 3.5 m-30 -62.48 115.84 4.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 0.795 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -58.04 -23.55 54.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.157 . . . . 0.0 110.346 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -177.88 160.92 1.53 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.482 1.114 . . . . 0.0 110.249 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.562 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 43.1 m-85 -37.6 128.73 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.63 ' O ' HD23 ' A' ' 25' ' ' LEU . 63.7 mm-40 -107.95 146.73 32.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 110.325 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.6 ' CE1' ' HB3' ' A' ' 23' ' ' PHE . 17.3 t60 -94.43 115.97 28.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.561 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 32.5 m-85 -142.88 145.88 33.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.526 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 66.1 t-105 -73.45 85.14 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 107.977 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.6 m -81.71 136.73 35.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.428 1.08 . . . . 0.0 110.381 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.449 ' HG2' ' CB ' ' A' ' 21' ' ' GLU . 46.3 mt-10 -128.35 131.13 48.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.2 OUTLIER -90.7 116.4 28.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.459 ' HB2' ' CD2' ' A' ' 47' ' ' PHE . 8.6 mtt180 -136.57 127.89 28.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.4 -101.15 0.11 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -140.93 13.81 2.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 110.403 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 61' ' ' LEU . 2.8 m -119.32 129.48 54.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.417 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.1 mt -79.86 117.58 20.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.459 ' CD2' ' HB2' ' A' ' 42' ' ' ARG . 76.0 m-85 -103.95 120.46 41.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.569 ' CE1' HG13 ' A' ' 26' ' ' ILE . 75.3 m-85 -103.63 144.0 32.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -133.92 146.43 50.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.766 HG23 ' HB ' ' A' ' 58' ' ' VAL . 2.1 p -73.62 -32.39 64.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.381 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -176.32 164.24 2.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -50.54 -46.57 57.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -44.56 -42.99 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -58.12 133.61 55.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.0 pp -110.02 -35.95 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.69 HG22 ' HD1' ' A' ' 57' ' ' TYR . 46.6 mm -74.18 -106.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.69 ' HD1' HG22 ' A' ' 56' ' ' ILE . 0.2 OUTLIER 179.22 147.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.766 ' HB ' HG23 ' A' ' 50' ' ' THR . 7.8 p -86.06 -34.79 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.59 179.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -161.27 167.58 25.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.545 ' O ' HG23 ' A' ' 45' ' ' THR . 53.0 mt -140.81 178.15 7.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.465 ' CG ' HG12 ' A' ' 64' ' ' VAL . 17.8 t0 -129.98 127.82 40.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.349 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.459 HD12 HG23 ' A' ' 108' ' ' ILE . 5.0 pt -126.86 21.34 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.465 HG12 ' CG ' ' A' ' 62' ' ' ASP . 11.7 p -76.01 -33.27 24.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.14 14.09 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.592 ' HA ' HD23 ' A' ' 86' ' ' LEU . 2.8 tp -41.12 127.74 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -83.87 -28.98 27.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 166.8 -177.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 108.363 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.509 HD12 HD13 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -132.83 130.3 39.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.103 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.6 p -103.3 171.6 7.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.435 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -128.79 118.82 23.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -86.73 117.18 25.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -88.68 147.85 24.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -119.95 -58.78 1.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.4 m -137.9 -66.37 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -170.78 71.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.8 tptt 63.92 141.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -179.59 -54.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 63.2 m -137.77 168.13 20.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 108.297 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.403 ' CB ' ' HA3' ' A' ' 101' ' ' GLY . . . -88.93 115.95 26.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -133.96 118.5 17.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 93' ' ' LEU . 7.8 p90 -147.22 151.39 36.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 91' ' ' VAL . 2.5 m -109.66 143.63 39.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.407 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.586 HD22 ' N ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -90.6 113.14 25.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.5 t -90.96 112.86 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 89' ' ' GLU . 3.8 mt -119.17 156.18 52.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.74 8.55 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.488 1.783 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -113.07 -58.49 2.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.668 ' O ' HD12 ' A' ' 86' ' ' LEU . 8.3 tt0 -155.87 149.69 25.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -92.81 145.06 24.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.587 ' O ' HG23 ' A' ' 83' ' ' THR . 86.8 t -130.12 156.72 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.365 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -108.49 141.93 39.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.345 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.709 ' CD2' HD21 ' A' ' 24' ' ' LEU . 1.3 mp -132.46 139.93 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.46 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -147.14 143.96 28.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.476 HG22 ' CD1' ' A' ' 24' ' ' LEU . 12.4 p -120.27 170.58 9.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -117.45 36.51 4.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -176.75 124.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -45.5 -40.14 8.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -60.59 -61.88 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.5 m -42.94 -43.41 4.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.403 ' HA3' ' CB ' ' A' ' 80' ' ' ALA . . . -51.87 -68.77 1.39 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -54.53 -30.62 54.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 110.306 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.2 -67.38 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.913 ' O ' HD12 ' A' ' 108' ' ' ILE . 72.9 m95 -58.3 -60.84 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -38.93 -52.09 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.62 -53.18 29.47 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.099 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.557 ' CE1' HG21 ' A' ' 133' ' ' VAL . 0.3 OUTLIER -51.23 -41.83 60.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 111.008 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.913 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.9 mp -66.39 -60.23 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.4 mt -45.61 -25.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.507 HG21 ' O ' ' A' ' 130' ' ' LEU . 80.6 m -80.32 -40.56 26.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.628 HG22 ' HA ' ' A' ' 108' ' ' ILE . 28.3 m -92.27 28.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.4 p -146.6 -45.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.74 -16.12 39.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 69.69 25.8 5.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.501 ' O ' HG23 ' A' ' 110' ' ' THR . 1.1 t -144.86 -160.17 1.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 66.9 t -134.35 122.8 16.17 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 124.51 8.69 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -85.85 -11.98 51.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -91.01 64.14 5.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 15.6 m -134.89 139.22 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -4.73 51.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.465 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.6 OUTLIER -52.68 179.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.564 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -106.7 -176.29 0.41 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.564 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.96 -21.52 15.85 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.528 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -84.66 -19.95 59.07 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.465 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 6.2 mm100 -96.05 -41.52 8.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 123' ' ' LEU . 25.3 t -55.03 -41.29 58.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.528 HD12 ' HA2' ' A' ' 125' ' ' GLY . 33.6 mt -44.93 -50.77 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -43.2 -58.84 2.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.538 HD22 ' HA ' ' A' ' 107' ' ' PHE . 16.0 mt -46.27 -44.95 16.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -61.62 -55.29 32.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.581 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -58.99 -60.55 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.17 . . . . 0.0 110.312 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.889 HG13 ' CG ' ' A' ' 19' ' ' TYR . 95.4 t -46.21 -48.58 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.641 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.5 OUTLIER -44.26 -67.91 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -46.34 -52.96 11.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 136' ' ' ARG . 1.1 mpt_? -44.94 -35.57 2.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 138' ' ' LYS . 5.4 tp10 -81.89 -48.74 11.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.52 ' HE3' HD11 ' A' ' 134' ' ' LEU . 51.9 mttt -38.86 -33.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 137' ' ' GLU . 0.0 OUTLIER -67.29 -69.47 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -58.06 -16.46 12.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 142' ' ' ILE . 0.0 OUTLIER -70.52 -24.85 62.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.471 ' N ' ' HG3' ' A' ' 141' ' ' ARG . 35.4 mt -51.22 -82.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -39.43 -70.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.7 m -109.21 134.92 51.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 179.95 -176.74 47.64 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 123.24 7.78 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.52 116.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.5 t -102.61 133.99 46.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -95.84 116.16 28.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 0.745 . . . . 0.0 110.019 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 70.84 150.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.991 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.63 121.03 0.55 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t 50.65 -157.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 110.018 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -119.65 -54.12 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.946 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.16 -82.4 0.39 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 62.94 -84.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.245 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -100.53 160.25 14.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.02 -54.07 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.8 mt 52.47 94.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -114.26 137.57 51.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mp -84.39 130.28 36.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.3 m 50.69 95.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.83 130.85 16.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mt -50.32 146.39 8.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 120.86 6.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.616 HD21 ' OE2' ' A' ' 21' ' ' GLU . 13.6 tp -73.74 150.45 41.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.617 ' CG ' HG13 ' A' ' 133' ' ' VAL . 21.6 m-85 -127.75 -50.32 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.595 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 16.2 t80 -149.06 154.14 38.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.616 ' OE2' HD21 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -147.52 151.24 36.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.65 141.75 3.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -51.93 105.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.746 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.716 HD21 ' CD2' ' A' ' 93' ' ' LEU . 21.9 tp -106.72 160.34 15.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.726 HD23 ' C ' ' A' ' 35' ' ' GLU . 7.0 mt -114.69 121.2 42.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 mm -110.99 129.37 66.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -128.77 71.22 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.17 -168.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.71 -74.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 32' ' ' ARG . . . -58.88 -117.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.525 ' O ' ' CB ' ' A' ' 32' ' ' ARG . 2.7 m-85 57.71 -82.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.525 ' CB ' ' O ' ' A' ' 31' ' ' TYR . 10.4 tpp180 86.64 0.33 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.352 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -164.05 128.1 2.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.562 ' HB3' HD22 ' A' ' 25' ' ' LEU . 71.4 m-85 -60.4 123.93 18.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.726 ' C ' HD23 ' A' ' 25' ' ' LEU . 21.7 mm-40 -107.65 140.6 40.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.449 ' CD2' HD21 ' A' ' 25' ' ' LEU . 31.3 m80 -80.98 124.29 29.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.581 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 40.0 m-85 -144.87 135.78 24.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' TYR . 74.9 t-105 -63.69 86.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 107.985 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.468 HG23 ' CD1' ' A' ' 48' ' ' PHE . 65.6 m -81.65 130.67 35.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.405 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -122.41 127.85 50.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.02 118.75 30.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.577 ' HG2' HD12 ' A' ' 18' ' ' LEU . 22.2 mtm180 -140.18 127.45 21.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.18 -96.58 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 p -147.36 22.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 0.789 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.7 m -124.92 121.04 33.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.8 mt -76.79 114.64 15.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -106.39 118.78 37.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.468 ' CD1' HG23 ' A' ' 39' ' ' THR . 8.9 m-85 -103.11 139.37 38.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.521 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 69.5 m-85 -133.83 159.13 41.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.8 p -85.8 -32.25 21.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 110.357 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -166.6 154.03 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -58.48 -23.81 58.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -67.97 -30.06 69.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -73.36 135.31 44.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -90.18 -42.42 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.6 mp -89.37 147.51 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 50.6 p90 -87.1 125.04 33.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.8 p -48.42 -44.43 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.3 156.12 30.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.481 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 7.2 pttt -136.74 160.93 37.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.525 ' CD1' HG11 ' A' ' 91' ' ' VAL . 4.9 mt -130.87 -179.52 5.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -146.52 125.35 12.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.783 HD12 HG23 ' A' ' 108' ' ' ILE . 16.1 pt -125.79 17.51 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.3 p -61.85 -40.57 87.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.26 16.54 11.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.58 HD13 HD12 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -45.44 129.1 8.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.523 ' HB ' HG12 ' A' ' 85' ' ' VAL . 1.0 OUTLIER -82.25 -33.48 29.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.441 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.11 -172.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 108.297 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.681 HD12 HD13 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -138.04 130.04 28.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.475 ' OG1' ' N ' ' A' ' 71' ' ' GLU . 1.9 t -117.69 179.56 4.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.475 ' N ' ' OG1' ' A' ' 70' ' ' THR . 23.2 mt-10 -124.86 138.6 54.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -107.65 149.16 28.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.35 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -146.34 144.64 29.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.84 -60.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.952 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 47.2 p -75.06 -54.31 7.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.389 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -178.99 162.53 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -107.65 86.99 2.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -120.77 -55.0 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.6 p -97.01 176.27 6.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 108.329 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.753 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -88.71 114.32 25.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -122.02 115.2 22.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.613 ' CD1' HD11 ' A' ' 69' ' ' LEU . 10.6 p90 -140.26 155.69 46.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 91' ' ' VAL . 1.5 m -114.55 137.31 52.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.421 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.681 HD13 HD12 ' A' ' 69' ' ' LEU . 1.3 mm? -84.26 110.11 18.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.523 HG12 ' HB ' ' A' ' 67' ' ' THR . 43.1 t -82.61 121.91 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.944 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.1 mt -125.33 156.56 69.87 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.88 8.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -114.36 -57.46 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.944 ' O ' HD12 ' A' ' 86' ' ' LEU . 3.9 tt0 -158.8 149.96 20.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.91 145.72 25.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.525 HG11 ' CD1' ' A' ' 61' ' ' LEU . 74.0 t -126.35 146.54 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -97.04 131.84 43.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.716 ' CD2' HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -125.69 121.67 34.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -125.96 149.71 48.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.668 HG21 ' HA2' ' A' ' 101' ' ' GLY . 48.4 p -122.77 159.79 27.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.54 -60.68 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -106.08 -170.36 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 t -89.96 -42.31 11.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -50.85 -67.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.2 p -47.99 -27.23 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.753 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -55.81 -56.72 22.44 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.413 1.071 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -35.79 81.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.763 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.595 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 2.2 tt0 -47.74 -60.24 2.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.842 ' O ' HD12 ' A' ' 108' ' ' ILE . 77.6 m95 -60.52 -64.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.433 ' CG ' HD22 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -37.44 -53.94 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -58.56 -56.56 24.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.726 ' HA ' HD22 ' A' ' 130' ' ' LEU . 1.0 OUTLIER -55.03 -40.91 70.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 111.02 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.842 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.5 mp -65.05 -57.88 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.4 mt -45.13 -27.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 115' ' ' SER . 89.5 m -78.98 -42.02 27.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.413 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.714 HG22 ' HA ' ' A' ' 108' ' ' ILE . 33.6 m -90.64 30.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 25.4 p -146.09 -45.36 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.54 -16.12 33.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.565 HD11 ' CD ' ' A' ' 141' ' ' ARG . 2.3 mm? 70.43 23.51 4.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 110' ' ' THR . 1.5 t -141.62 -164.98 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.549 HG13 ' HB2' ' A' ' 130' ' ' LEU . 50.4 t -131.06 124.94 20.87 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.03 4.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.793 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -92.23 -19.04 22.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -89.81 16.52 7.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.551 HG22 ' H ' ' A' ' 121' ' ' SER . 0.5 OUTLIER -71.91 -170.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.551 ' H ' HG22 ' A' ' 120' ' ' VAL . 0.2 OUTLIER -117.19 -30.7 5.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.052 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.519 ' HA ' HD12 ' A' ' 122' ' ' LEU . 1.4 tp -40.66 159.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.601 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.3 mm? -65.23 169.58 5.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.601 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -74.99 -7.57 19.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.767 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -97.07 -35.13 5.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -72.76 -41.55 64.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.2 t -51.2 -34.2 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.767 HD12 ' HA2' ' A' ' 125' ' ' GLY . 29.3 mt -50.1 -47.18 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -45.08 -55.47 5.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.726 HD22 ' HA ' ' A' ' 107' ' ' PHE . 7.8 mt -46.75 -44.73 19.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -59.48 -43.81 93.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.611 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -71.25 -53.79 13.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.617 HG13 ' CG ' ' A' ' 19' ' ' TYR . 43.8 t -51.49 -38.82 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.516 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.2 tp -60.29 -72.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -41.04 -30.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -52.44 57.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.558 ' CB ' ' NH2' ' A' ' 140' ' ' ARG . 1.4 pt-20 -71.43 -28.1 63.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.516 ' HG3' HD12 ' A' ' 134' ' ' LEU . 13.5 mttm -53.39 -45.67 69.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -55.96 -37.11 68.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.558 ' NH2' ' CB ' ' A' ' 137' ' ' GLU . 31.6 mtm105 -73.44 -24.88 60.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.565 ' CD ' HD11 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -69.61 -26.34 64.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.51 ' N ' HD13 ' A' ' 142' ' ' ILE . 3.2 mm -48.58 -83.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -43.88 -63.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.333 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.6 t 76.77 149.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -153.01 -160.7 9.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.56 31.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.491 1.784 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 26.2 p -139.54 141.68 37.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 5.2 t 72.07 -64.83 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 t -135.52 104.97 6.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 p -171.99 149.13 2.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.59 82.49 0.07 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -172.44 117.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.777 . . . . 0.0 109.983 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 p -178.52 133.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.02 114.37 2.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.99 163.42 36.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -139.04 -57.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.26 103.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.8 mt -80.29 -64.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.86 69.87 0.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 pp -139.82 112.82 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.5 m -129.41 92.41 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.54 54.91 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.428 HD21 HH21 ' A' ' 140' ' ' ARG . 9.7 mt -97.73 123.14 52.9 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.453 ' CG ' ' HD2' ' A' ' 136' ' ' ARG . 18.2 Cg_endo -74.98 117.51 4.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.438 1.757 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.742 HD13 ' C ' ' A' ' 18' ' ' LEU . 1.1 tm? -60.63 135.12 57.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.903 ' CD2' HG13 ' A' ' 133' ' ' VAL . 19.3 m-30 -108.68 -29.46 8.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.533 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 12.9 t80 -179.0 151.55 0.52 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -141.92 167.07 23.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.06 140.3 3.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.125 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -54.22 98.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.576 HD21 ' CD2' ' A' ' 93' ' ' LEU . 12.0 tp -100.07 157.95 16.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.785 HD23 ' C ' ' A' ' 35' ' ' GLU . 8.5 mt -111.06 117.13 32.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.558 HG13 ' CE1' ' A' ' 48' ' ' PHE . 17.3 mm -105.17 125.41 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.557 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 2.2 ttmt -125.38 66.37 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -55.91 175.16 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.7 p -70.61 65.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.99 62.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.548 1.155 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -140.54 120.48 13.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -53.29 -25.48 14.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 179.24 160.47 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.742 ' HB3' HD22 ' A' ' 25' ' ' LEU . 61.6 m-85 -53.83 125.6 19.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.785 ' C ' HD23 ' A' ' 25' ' ' LEU . 56.0 mm-40 -105.47 140.67 38.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.711 ' CE1' HD21 ' A' ' 25' ' ' LEU . 77.0 m80 -88.74 110.73 21.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.578 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 37.1 m-85 -131.82 137.15 47.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' TYR . 76.1 t-105 -62.61 85.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.0 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.526 HG23 ' CD1' ' A' ' 48' ' ' PHE . 90.1 m -83.48 130.01 35.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -122.48 133.34 54.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.4 OUTLIER -90.96 116.35 28.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -132.33 127.25 35.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.438 ' HA2' ' CE2' ' A' ' 19' ' ' TYR . . . 50.0 -100.9 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 p -137.53 15.21 2.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 110.344 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 61' ' ' LEU . 6.2 m -122.0 128.27 51.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.3 mt -82.22 130.67 35.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -120.39 119.96 34.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.558 ' CE1' HG13 ' A' ' 26' ' ' ILE . 22.3 m-85 -100.7 135.22 42.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.054 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.476 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 68.2 m-85 -130.43 151.57 50.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.954 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.422 ' CG2' ' HB ' ' A' ' 58' ' ' VAL . 13.1 p -84.14 -31.98 24.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -157.29 165.44 35.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -64.83 -33.87 77.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.33 -43.23 95.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.6 m -47.05 129.69 12.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -98.26 -43.26 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.5 mm -91.63 108.0 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.476 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 50.8 p90 -50.53 131.0 24.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.422 ' HB ' ' CG2' ' A' ' 50' ' ' THR . 12.4 p -51.65 -38.31 21.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -167.34 155.55 9.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.417 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 5.5 pttt -132.29 159.73 38.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 61' ' ' LEU . 4.7 mt -128.61 175.29 8.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.727 ' OD2' HG12 ' A' ' 64' ' ' VAL . 24.2 t70 -137.22 127.67 26.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.605 HG22 HD21 ' A' ' 86' ' ' LEU . 13.9 pt -132.61 24.21 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.727 HG12 ' OD2' ' A' ' 62' ' ' ASP . 8.9 p -73.26 -31.7 35.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.72 17.6 20.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.586 ' HA ' HD23 ' A' ' 86' ' ' LEU . 1.7 tp -44.16 128.38 5.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -81.77 -35.42 29.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 174.51 -179.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 108.278 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -128.35 126.98 41.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.8 p -103.73 172.32 6.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.402 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -129.78 115.42 17.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.264 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -72.93 114.46 11.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -66.47 158.54 29.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.26 -52.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.959 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.9 m -157.63 147.06 19.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 110.431 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -54.12 90.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.249 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 75' ' ' THR . 3.5 mmtt 65.84 85.98 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -152.58 94.65 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 36.7 m 68.73 162.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 108.32 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -105.37 117.47 34.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -134.35 113.84 12.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.479 ' CE1' ' HB3' ' A' ' 93' ' ' LEU . 7.6 p90 -139.91 149.39 43.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 91' ' ' VAL . 5.0 m -107.52 139.5 41.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.528 HD12 HD13 ' A' ' 66' ' ' LEU . 1.2 mm? -84.89 106.64 16.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.1 t -83.54 112.19 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 89' ' ' GLU . 4.3 mt -116.48 157.57 45.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -0.51 10.06 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.427 1.751 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -112.72 -58.92 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.662 ' O ' HD12 ' A' ' 86' ' ' LEU . 5.2 tt0 -154.85 148.47 25.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -88.76 139.01 30.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.643 ' O ' HG23 ' A' ' 83' ' ' THR . 73.7 t -122.47 154.39 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -105.41 143.46 33.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.576 ' CD2' HD21 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -134.22 130.67 37.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.436 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 5.6 ttpt -134.15 143.18 47.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.502 HG22 HD11 ' A' ' 24' ' ' LEU . 34.4 p -112.73 -166.14 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 110.421 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -112.96 -56.82 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -103.18 175.41 5.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 99.9 m -69.83 -53.06 19.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.531 ' HG3' HD11 ' A' ' 122' ' ' LEU . 31.1 tt0 -46.49 -62.74 1.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -39.09 -35.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.944 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.92 -67.95 1.91 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -55.97 -28.83 58.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.341 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.533 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 1.5 mt-10 -59.84 -63.01 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.821 ' O ' HD12 ' A' ' 108' ' ' ILE . 90.9 m95 -63.69 -61.39 2.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 107.98 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 104' ' ' TRP . 9.0 ttp180 -38.36 -50.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.05 -52.2 34.17 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.575 ' CE1' HG21 ' A' ' 133' ' ' VAL . 1.0 OUTLIER -54.08 -44.44 71.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 0.717 . . . . 0.0 110.994 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.821 HD12 ' O ' ' A' ' 104' ' ' TRP . 2.3 mp -65.44 -52.86 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 109' ' ' LEU . 20.0 mt -52.32 -21.4 3.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.58 HG21 ' O ' ' A' ' 130' ' ' LEU . 53.3 m -86.34 -38.54 17.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.755 HG22 ' HA ' ' A' ' 108' ' ' ILE . 27.7 m -91.47 22.79 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 108' ' ' ILE . 41.1 p -136.88 -46.41 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.421 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -87.12 -4.12 59.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.451 HD12 ' NH2' ' A' ' 141' ' ' ARG . 0.7 OUTLIER 58.74 22.8 10.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 110' ' ' THR . 1.9 t -138.92 -160.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.953 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.416 HG23 HD23 ' A' ' 134' ' ' LEU . 61.6 t -135.29 119.07 13.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 124.73 8.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -94.37 15.29 17.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -106.7 27.81 8.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.499 HG21 HG22 ' A' ' 127' ' ' VAL . 21.7 m -102.77 129.86 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -10.37 59.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 122' ' ' LEU . 1.6 tp -44.82 160.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.624 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.0 OUTLIER -65.13 169.2 6.03 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.624 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.97 -8.19 19.87 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.759 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -96.63 -33.29 6.2 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -75.13 -41.85 57.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.418 0.717 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.499 HG22 HG21 ' A' ' 120' ' ' VAL . 2.2 t -51.38 -35.04 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.759 HD12 ' HA2' ' A' ' 125' ' ' GLY . 35.5 mt -52.13 -48.14 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.407 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 5.0 mmmm -42.55 -50.73 5.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.58 ' O ' HG21 ' A' ' 110' ' ' THR . 17.9 mt -52.24 -43.62 64.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 128' ' ' ILE . 2.0 m-70 -64.09 -47.3 80.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.651 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -63.82 -57.43 9.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.155 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.903 HG13 ' CD2' ' A' ' 19' ' ' TYR . 53.6 t -47.29 -45.21 9.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.479 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.5 tp -54.93 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.17 -35.54 3.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.453 ' HD2' ' CG ' ' A' ' 17' ' ' PRO . 2.5 mmt180 -60.85 -53.17 60.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 1.7 pt-20 -70.47 -26.49 63.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.479 ' HG3' HD12 ' A' ' 134' ' ' LEU . 36.9 mttt -52.86 -54.13 38.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -47.31 -48.46 25.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.428 HH21 HD21 ' A' ' 16' ' ' LEU . 3.9 ttt-85 -43.3 -43.17 4.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.451 ' NH2' HD12 ' A' ' 114' ' ' LEU . 2.9 mtm180 -46.62 -37.88 8.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 8.5 mt -52.85 -87.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -45.91 -63.47 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 77.4 p 49.63 90.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -87.23 -150.05 17.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -45.02 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 51.17 85.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 55.2 m 52.77 95.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.04 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.128 . . . . 0.0 110.994 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 m -159.25 134.53 8.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 0.768 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.9 p -122.1 162.59 20.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.48 89.88 0.11 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.93 167.64 2.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.005 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -70.41 151.83 44.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.51 92.97 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.528 1.143 . . . . 0.0 111.043 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -89.76 73.33 7.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.765 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.87 125.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.13 94.33 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.859 ' H ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -146.87 175.37 10.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -161.47 58.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.8 mm -44.29 118.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 10.5 m -160.59 118.34 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 71.41 -74.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mt -118.31 142.93 32.09 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 117.5 4.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.525 1.803 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.675 HD21 ' OE1' ' A' ' 21' ' ' GLU . 14.2 tp -64.2 141.97 58.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.712 ' CD2' HG13 ' A' ' 133' ' ' VAL . 22.6 m-30 -117.82 -36.68 3.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.58 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 11.5 t80 -163.65 152.21 13.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.675 ' OE1' HD21 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -144.23 149.95 37.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.98 136.99 2.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -50.59 110.04 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.609 HD21 ' CD2' ' A' ' 93' ' ' LEU . 15.6 tp -109.92 149.26 30.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.038 HD23 ' O ' ' A' ' 35' ' ' GLU . 7.1 mt -102.61 128.54 49.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.489 ' O ' ' CD2' ' A' ' 31' ' ' TYR . 11.8 mm -118.04 132.17 68.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 1.3 tttm -110.75 -22.18 11.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.554 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 7.6 mtp180 43.67 -172.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.7 p -39.61 -52.08 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.7 113.81 0.58 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.44 1.088 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.554 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -115.01 -26.48 7.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 111.001 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.535 ' CB ' ' O ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER 86.83 -40.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -157.85 117.44 3.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.571 ' CE2' ' HE2' ' A' ' 94' ' ' LYS . 66.2 m-85 -42.71 124.13 2.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 1.038 ' O ' HD23 ' A' ' 25' ' ' LEU . 4.3 mt-10 -98.79 158.93 15.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.794 ' CE1' HD21 ' A' ' 25' ' ' LEU . 70.0 m80 -106.81 106.96 17.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.639 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -127.29 139.58 52.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' TYR . 76.0 t-105 -62.51 89.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.771 HG23 ' CD1' ' A' ' 48' ' ' PHE . 25.3 m -82.12 122.97 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -118.32 127.33 53.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.23 116.97 29.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -134.75 127.19 30.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.57 -101.13 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 p -140.18 16.96 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.531 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 3.3 m -121.82 118.31 28.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.421 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.8 mt -73.33 126.86 31.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.531 ' CD2' ' O ' ' A' ' 45' ' ' THR . 96.5 m-85 -117.4 125.71 51.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.771 ' CD1' HG23 ' A' ' 39' ' ' THR . 7.8 m-85 -109.93 127.02 54.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' TRP . 75.5 m-85 -122.3 166.24 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.1 p -77.07 -51.4 11.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.386 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -141.13 -67.75 0.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' LYS . 10.9 tttm -172.32 -62.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' LYS . 18.5 mmmt -40.24 -36.23 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 t -45.05 119.59 2.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.406 ' HB ' HD12 ' A' ' 56' ' ' ILE . 1.6 mp -84.55 -55.33 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.406 HD12 ' HB ' ' A' ' 55' ' ' ILE . 5.0 mp -89.44 95.18 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.499 ' CZ ' ' HD3' ' A' ' 60' ' ' LYS . 34.7 p90 -37.49 135.52 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.5 p -51.9 -33.18 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.354 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -174.55 156.72 2.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.499 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 41.9 pttt -133.84 163.95 28.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.538 HD11 HG11 ' A' ' 91' ' ' VAL . 3.7 mt -128.36 -176.77 3.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.405 ' OD2' HG12 ' A' ' 64' ' ' VAL . 20.0 t70 -143.6 125.17 14.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.529 ' O ' HG22 ' A' ' 112' ' ' THR . 5.9 pt -133.37 24.5 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.405 HG12 ' OD2' ' A' ' 62' ' ' ASP . 9.6 p -74.74 -38.03 43.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.72 19.99 12.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.246 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.646 ' HA ' HD23 ' A' ' 86' ' ' LEU . 5.5 tp -40.41 133.32 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.68 -39.94 21.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 175.85 -178.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.318 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.476 ' CD2' ' OE2' ' A' ' 71' ' ' GLU . 0.8 OUTLIER -131.68 133.04 44.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 5.7 p -112.2 148.03 34.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.476 ' OE2' ' CD2' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -110.01 147.88 32.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.59 139.7 51.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -90.12 138.53 31.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.27 -63.36 1.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.2 m -141.74 -63.64 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.435 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.97 81.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.332 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 43.73 73.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -126.65 -60.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 26.7 p -106.81 163.45 12.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 108.32 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.435 ' CB ' ' HA3' ' A' ' 101' ' ' GLY . . . -120.17 113.38 20.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -136.12 116.57 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.493 ' CB ' ' O ' ' A' ' 70' ' ' THR . 2.9 p90 -139.6 156.61 46.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 25.1 m -104.58 135.47 45.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.432 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.654 HD23 HD13 ' A' ' 93' ' ' LEU . 0.7 OUTLIER -89.26 96.49 10.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.5 t -75.89 123.84 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.646 HD23 ' HA ' ' A' ' 66' ' ' LEU . 2.7 mt -126.28 157.74 69.1 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.84 8.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.766 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -113.27 -56.28 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.644 ' O ' HD12 ' A' ' 86' ' ' LEU . 8.7 tt0 -159.0 154.12 25.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 12.0 mt-10 -91.69 146.14 24.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.346 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.538 HG11 HD11 ' A' ' 61' ' ' LEU . 75.7 t -132.64 149.0 31.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -103.17 142.27 34.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.654 HD13 HD23 ' A' ' 84' ' ' LEU . 2.9 mp -125.73 161.95 26.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.571 ' HE2' ' CE2' ' A' ' 34' ' ' TYR . 1.9 ttmm -154.21 137.6 15.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.408 HG22 ' CD1' ' A' ' 24' ' ' LEU . 40.3 p -126.87 -42.73 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.403 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.469 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 2.6 mm-40 65.18 49.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 174.23 117.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 m -44.98 -54.54 6.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.415 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -48.7 -73.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.3 m -42.06 -50.11 4.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.435 ' HA3' ' CB ' ' A' ' 80' ' ' ALA . . . -54.6 -69.95 1.1 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.645 ' OE2' HG12 ' A' ' 120' ' ' VAL . 1.4 mm-40 -39.8 -43.01 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.35 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.58 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 4.7 mt-10 -54.48 -69.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.83 ' O ' HD12 ' A' ' 108' ' ' ILE . 87.4 m95 -51.22 -62.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 108.021 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -38.07 -48.29 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -69.09 -60.88 4.91 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.12 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.417 ' CE1' ' HB3' ' A' ' 129' ' ' LYS . 6.2 m-85 -46.74 -42.88 17.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.6 mp -65.36 -61.21 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 47.8 mt -44.66 -26.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.247 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.721 HG21 ' O ' ' A' ' 130' ' ' LEU . 97.1 m -80.51 -40.82 25.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.379 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.723 HG22 ' HA ' ' A' ' 108' ' ' ILE . 32.8 m -91.61 28.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 63' ' ' ILE . 21.4 p -144.8 -46.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -85.47 -9.95 56.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.761 HD11 ' HG3' ' A' ' 141' ' ' ARG . 1.0 OUTLIER 63.56 22.14 13.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.459 ' HA ' HD22 ' A' ' 134' ' ' LEU . 0.7 OUTLIER -141.94 -160.89 1.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.99 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 48.5 t -133.92 123.14 16.86 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 119.59 5.72 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -90.42 25.66 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -123.79 38.83 4.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.645 HG12 ' OE2' ' A' ' 102' ' ' GLU . 4.3 m -111.03 138.43 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.95 -5.58 59.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 122' ' ' LEU . 1.9 tp -50.45 161.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.617 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.2 mm? -64.97 169.3 5.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.617 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.2 Cg_endo -75.03 -7.93 19.58 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.819 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -97.04 -34.22 5.74 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 110.945 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -74.78 -36.92 62.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 0.733 . . . . 0.0 110.28 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.93 -30.22 37.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.819 HD12 ' HA2' ' A' ' 125' ' ' GLY . 38.4 mt -54.99 -48.41 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.417 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 6.8 mmmm -43.94 -53.0 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.721 ' O ' HG21 ' A' ' 110' ' ' THR . 13.4 mt -49.81 -42.99 48.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -65.0 -51.65 60.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.583 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -61.05 -59.91 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.258 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.712 HG13 ' CD2' ' A' ' 19' ' ' TYR . 55.7 t -42.32 -46.17 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.571 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.6 tp -52.81 -68.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.08 -36.74 13.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -59.62 -50.69 72.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 3.3 pt-20 -73.23 -27.86 61.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.571 ' HG3' HD12 ' A' ' 134' ' ' LEU . 16.1 mttm -50.62 -50.66 53.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -48.89 -38.29 22.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -70.31 -27.88 64.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.348 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.761 ' HG3' HD11 ' A' ' 114' ' ' LEU . 26.4 mmm180 -63.54 -16.11 59.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 33.8 mt -63.88 -77.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -52.51 -75.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.89 110.75 9.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -81.24 -163.93 31.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.43 9.93 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.476 1.777 . . . . 0.0 111.004 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.75 -58.73 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.148 . . . . 0.0 109.983 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.25 97.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.965 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.569 1.168 . . . . 0.0 110.992 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -176.33 151.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.968 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 p -125.96 -61.29 1.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.153 . . . . 0.0 110.013 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.36 168.81 22.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 m 63.29 117.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 0.762 . . . . 0.0 110.036 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.0 p -98.32 -11.61 22.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.009 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.73 142.1 3.46 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.441 ' C ' ' CG ' ' A' ' 9' ' ' GLU . 20.5 mt-30 -146.58 83.8 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' CG ' ' C ' ' A' ' 8' ' ' GLN . 2.0 pt-20 41.02 78.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.513 ' C ' HD23 ' A' ' 11' ' ' LEU . 8.6 mtt180 -102.19 101.86 12.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.513 HD23 ' C ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -130.86 154.77 47.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -100.63 139.87 35.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 mp -121.68 128.03 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 t -128.95 -44.11 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.397 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' PRO . . . -47.6 -67.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.783 HD23 ' CB ' ' A' ' 42' ' ' ARG . 1.2 tp -38.9 99.45 0.19 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 120.12 5.94 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.941 HD21 ' CD ' ' A' ' 21' ' ' GLU . 16.3 tp -57.2 143.23 39.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -123.72 -42.05 2.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.574 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 4.1 t80 -159.41 153.35 23.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.941 ' CD ' HD21 ' A' ' 18' ' ' LEU . 15.2 pm0 -157.14 143.84 18.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.44 142.92 3.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -41.65 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.746 . . . . 0.0 110.982 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.452 ' CD1' HG22 ' A' ' 95' ' ' THR . 19.5 tp -109.77 150.01 28.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.754 HD23 ' O ' ' A' ' 35' ' ' GLU . 12.7 mt -102.44 127.97 49.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.9 mm -116.12 126.98 73.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -126.27 112.07 15.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -128.89 -177.62 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 m -71.57 73.93 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.041 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 148.14 44.87 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 111.036 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.444 ' O ' ' CB ' ' A' ' 32' ' ' ARG . 5.8 m-85 -135.21 -44.55 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 80.32 -51.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -136.58 140.06 42.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.658 ' HB3' HD22 ' A' ' 25' ' ' LEU . 56.4 m-85 -49.78 126.19 13.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 111.053 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.754 ' O ' HD23 ' A' ' 25' ' ' LEU . 46.4 mm-40 -104.13 144.68 31.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.682 ' CD2' HD21 ' A' ' 25' ' ' LEU . 48.6 m80 -91.17 111.5 23.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.49 ' HE1' HG22 ' A' ' 50' ' ' THR . 34.4 m-85 -131.41 136.85 48.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.426 ' N ' ' O ' ' A' ' 49' ' ' TYR . 73.5 t-105 -65.68 95.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 107.982 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.1 m -88.7 142.02 28.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 110.394 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -132.28 127.65 36.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.01 125.8 35.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.783 ' CB ' HD23 ' A' ' 16' ' ' LEU . 24.3 mtt180 -146.12 127.65 15.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.02 -92.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 42' ' ' ARG . 7.3 p -151.48 32.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 0.737 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.9 m -136.45 114.95 11.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.354 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 30.3 mt -74.7 129.89 38.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -117.95 121.39 40.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 59' ' ' ASP . 14.4 m-85 -101.75 137.5 39.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 57' ' ' TYR . 70.3 m-85 -134.02 131.2 38.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.49 HG22 ' HE1' ' A' ' 37' ' ' TYR . 34.4 p -61.3 -29.79 70.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -164.13 158.74 19.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -62.88 -37.46 87.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -55.24 -45.46 76.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.66 138.24 23.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.969 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.1 mm -91.72 -47.1 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.0 mt -85.7 149.55 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 55.2 p90 -87.58 126.79 35.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.484 ' HB ' HG23 ' A' ' 50' ' ' THR . 9.9 p -45.43 -49.21 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.461 ' N ' HG13 ' A' ' 58' ' ' VAL . 2.7 m-20 -162.79 151.78 14.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.7 pttt -122.78 158.52 30.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 61' ' ' LEU . 4.6 mt -131.24 167.83 18.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.473 ' OD2' HG12 ' A' ' 64' ' ' VAL . 1.7 t70 -134.18 132.99 40.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.597 HG22 HD21 ' A' ' 86' ' ' LEU . 14.4 pt -133.55 30.97 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.473 HG12 ' OD2' ' A' ' 62' ' ' ASP . 7.2 p -75.4 -41.81 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.29 17.68 6.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.632 ' HA ' HD23 ' A' ' 86' ' ' LEU . 8.9 tp -44.74 134.35 5.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -85.03 -35.04 22.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 175.46 -178.1 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 108.319 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.442 HD11 ' CD1' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -131.03 126.26 35.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.1 p -99.73 166.58 11.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -128.29 127.74 43.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -86.43 131.05 34.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -46.7 -60.29 2.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.9 m 68.63 177.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.038 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.5 m -61.91 95.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.408 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 39.11 69.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.9 tttp 41.9 85.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -132.69 121.28 22.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 72.5 m 63.06 160.16 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 108.332 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.664 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -84.78 114.99 22.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -126.86 118.22 24.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.442 ' CD1' HD11 ' A' ' 69' ' ' LEU . 13.6 p90 -144.71 151.93 39.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 91' ' ' VAL . 1.4 m -111.62 137.1 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.605 HD23 HD13 ' A' ' 93' ' ' LEU . 2.0 mm? -82.01 114.06 20.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 40.7 t -93.63 109.78 22.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 66' ' ' LEU . 5.1 mt -113.51 157.67 40.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 1.75 7.38 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.3 -61.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.473 ' O ' HD12 ' A' ' 86' ' ' LEU . 5.8 tt0 -150.55 153.18 35.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.351 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.403 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 1.5 mt-10 -96.56 144.47 26.6 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.547 ' O ' HG23 ' A' ' 83' ' ' THR . 78.6 t -127.51 146.79 32.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -100.58 124.73 46.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.328 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.605 HD13 HD23 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -112.5 135.17 53.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 4.0 ttpt -137.63 147.68 45.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.504 HG21 ' HA2' ' A' ' 101' ' ' GLY . 19.8 p -120.12 161.85 20.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -85.8 -46.65 10.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -102.53 170.68 7.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 65.5 m -84.24 -54.58 4.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.417 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -47.95 -63.9 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.6 m -43.41 -36.38 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.664 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -54.45 -52.68 43.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.554 ' OE2' HG12 ' A' ' 120' ' ' VAL . 1.2 mm-40 -62.47 -25.97 68.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.574 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 3.2 mt-10 -67.92 -68.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.926 ' O ' HD12 ' A' ' 108' ' ' ILE . 78.9 m95 -44.57 -63.49 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 107.972 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 104' ' ' TRP . 4.4 ttp180 -37.61 -61.54 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -48.84 -68.92 1.12 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.793 ' CE1' HG21 ' A' ' 133' ' ' VAL . 14.8 m-85 -41.85 -47.52 4.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.926 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.8 mp -64.32 -51.79 63.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.422 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 20.0 mt -54.83 -17.7 3.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.78 HG23 ' O ' ' A' ' 115' ' ' SER . 33.3 m -88.58 -44.54 10.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.581 HG22 ' HA ' ' A' ' 108' ' ' ILE . 15.9 m -81.78 8.9 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.861 HG23 ' O ' ' A' ' 108' ' ' ILE . 67.6 p -122.39 -51.41 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -81.64 -10.73 59.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 114' ' ' LEU . 0.2 OUTLIER 64.01 18.68 11.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.78 ' O ' HG23 ' A' ' 110' ' ' THR . 0.4 OUTLIER -138.79 -154.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 42.3 t -135.93 127.89 17.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 116' ' ' VAL . 18.4 Cg_endo -75.0 117.62 4.98 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 111.068 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -91.67 22.87 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -127.53 49.97 2.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.554 HG12 ' OE2' ' A' ' 102' ' ' GLU . 0.3 OUTLIER -118.3 160.41 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.08 -6.74 23.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.481 HD21 ' CG ' ' A' ' 103' ' ' GLU . 1.2 tp -50.97 159.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.627 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.3 mm? -65.27 169.58 5.68 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.627 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -74.98 -8.11 19.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.774 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -97.01 -33.34 6.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -74.44 -42.46 59.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 t -50.38 -34.18 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.774 HD12 ' HA2' ' A' ' 125' ' ' GLY . 32.4 mt -51.47 -47.22 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -47.55 -53.27 14.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.751 ' O ' HG21 ' A' ' 110' ' ' THR . 23.6 mt -49.61 -31.48 10.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -79.43 -50.44 10.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.633 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.87 -40.77 94.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.793 HG21 ' CE1' ' A' ' 107' ' ' PHE . 44.4 t -61.1 -43.36 96.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.55 HD22 ' HA ' ' A' ' 115' ' ' SER . 5.6 tp -56.55 -65.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.456 ' O ' ' CD ' ' A' ' 139' ' ' LYS . 37.1 mt-10 -49.81 -30.89 10.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.3 mmt-85 -64.13 -62.89 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 1.2 pt-20 -63.39 -25.19 68.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.544 ' HG3' HD12 ' A' ' 134' ' ' LEU . 11.3 mttm -51.46 -58.99 4.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.456 ' CD ' ' O ' ' A' ' 135' ' ' GLU . 0.0 OUTLIER -41.33 -52.97 3.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 14.1 ttp85 -39.78 -45.93 1.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -43.89 -40.57 4.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 139' ' ' LYS . 57.9 mt -45.89 -82.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -84.14 75.39 10.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 10.1 t -158.37 -61.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -131.3 159.09 23.0 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -58.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.531 1.806 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.85 149.45 29.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.32 151.2 32.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 m 65.51 135.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 0.731 . . . . 0.0 110.013 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p -171.01 165.92 7.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.7 163.26 32.88 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 p -155.07 141.4 18.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 0.774 . . . . 0.0 109.975 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -170.24 167.72 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.997 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.6 -149.78 5.11 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -87.98 109.88 20.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 0.748 . . . . 0.0 110.286 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.14 152.91 36.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -108.09 116.74 32.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.239 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -76.61 -59.5 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 pttm 46.79 -164.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mp -134.88 127.14 48.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -156.11 -54.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.402 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . -119.7 175.95 5.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' ALA . 1.1 tp -40.3 103.55 0.3 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 131.92 14.87 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.478 1.778 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.585 HD21 ' HG2' ' A' ' 21' ' ' GLU . 8.5 tp -71.91 139.67 48.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.443 ' CG ' HG13 ' A' ' 133' ' ' VAL . 23.1 m-85 -115.72 -37.36 3.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.57 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 4.7 t80 -161.03 150.25 16.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG2' HD21 ' A' ' 18' ' ' LEU . 2.4 pt-20 -151.88 135.12 15.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . 178.67 133.31 1.89 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -38.0 96.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.604 HD21 HD23 ' A' ' 93' ' ' LEU . 14.1 tp -98.24 153.17 18.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.903 HD21 ' CD2' ' A' ' 36' ' ' HIS . 12.1 mt -107.24 125.79 51.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.417 HG13 ' CE1' ' A' ' 48' ' ' PHE . 14.1 mm -113.19 133.44 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.57 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -130.84 54.89 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.588 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -46.92 173.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.09 103.44 2.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.12 23.01 5.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.118 . . . . 0.0 111.049 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.588 ' CE1' ' HB2' ' A' ' 28' ' ' ARG . 1.7 m-85 -98.85 106.52 18.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 0.777 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -38.18 -31.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.273 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 31' ' ' TYR . 4.9 pt-20 -179.17 153.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 52.9 m-85 -42.98 125.49 3.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.535 ' O ' HD23 ' A' ' 25' ' ' LEU . 41.9 mm-40 -102.41 145.17 29.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.903 ' CD2' HD21 ' A' ' 25' ' ' LEU . 6.6 m80 -95.18 118.25 31.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.632 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.702 ' HE1' HG22 ' A' ' 50' ' ' THR . 32.0 m-85 -144.18 135.99 26.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.549 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 61.4 t-105 -60.4 92.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 108.047 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.406 HG21 HD23 ' A' ' 24' ' ' LEU . 45.7 m -81.59 133.67 35.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -123.56 122.96 39.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 107' ' ' PHE . 0.1 OUTLIER -91.17 123.35 34.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -148.39 126.98 12.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.16 -97.9 0.07 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.432 HG22 ' HB ' ' A' ' 111' ' ' VAL . 6.2 p -146.47 20.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 110.379 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.8 m -124.84 123.73 40.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.374 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.0 mt -79.84 132.58 36.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -120.28 124.47 45.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.482 ' CZ ' HD12 ' A' ' 61' ' ' LEU . 28.6 m-85 -105.45 137.41 43.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.539 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 68.1 m-85 -134.56 127.33 31.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.702 HG22 ' HE1' ' A' ' 37' ' ' TYR . 31.7 p -60.43 -31.79 70.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 54' ' ' SER . 41.0 m-20 -162.61 143.97 10.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -44.54 -41.6 6.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -51.36 -42.4 61.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 51' ' ' ASP . 48.7 m -41.64 123.83 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -79.18 -42.47 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.47 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.1 pp -111.28 139.43 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.539 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 53.9 p90 -61.59 128.57 36.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 111.049 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.672 ' HB ' HG23 ' A' ' 50' ' ' THR . 6.2 p -52.07 -40.67 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.23 152.78 15.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -129.61 159.86 35.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.482 HD12 ' CZ ' ' A' ' 48' ' ' PHE . 9.0 mt -134.1 161.92 33.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -124.63 129.09 49.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.736 HD12 HG23 ' A' ' 108' ' ' ILE . 10.5 pt -128.81 23.62 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.0 p -72.49 -34.24 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.77 12.72 22.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.519 ' HA ' HD23 ' A' ' 86' ' ' LEU . 3.3 tp -43.58 129.34 5.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -85.38 -39.11 17.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.373 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -179.04 -179.16 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 108.301 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.486 HD21 ' CB ' ' A' ' 82' ' ' PHE . 0.7 OUTLIER -131.54 127.14 36.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.3 p -104.04 172.46 6.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.352 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -128.99 115.62 18.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -82.2 150.26 27.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 65.08 105.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 76.4 p -84.21 107.75 16.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.972 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.5 m 50.56 92.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.41 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 178.18 126.73 0.05 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.542 1.152 . . . . 0.0 110.351 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.96 138.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -82.07 97.62 8.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -178.09 178.75 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 108.247 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.591 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -130.39 124.88 33.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -134.38 122.26 22.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.486 ' CB ' HD21 ' A' ' 69' ' ' LEU . 1.7 p90 -137.05 157.24 47.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.1 m -116.84 114.72 24.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.739 HD22 HD13 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -66.17 101.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.378 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.7 t -76.0 118.6 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.843 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.6 mt -122.41 156.89 60.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.29 9.05 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -113.45 -58.27 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.843 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.2 tt0 -156.74 149.15 23.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -87.44 133.83 33.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.4 t -112.4 144.88 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -104.6 138.87 40.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.739 HD13 HD22 ' A' ' 84' ' ' LEU . 2.9 mp -128.89 154.85 46.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.515 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -153.8 147.68 25.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.8 p -129.1 152.35 48.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.452 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -52.64 -57.43 10.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.272 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -119.32 168.7 10.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.1 t -61.53 -41.18 96.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.375 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -43.44 -64.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.05 -48.09 8.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.013 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.591 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -47.89 -70.83 0.66 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -45.9 -30.6 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 110.35 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.57 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 1.9 mt-10 -68.01 -68.37 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.804 ' O ' HD12 ' A' ' 108' ' ' ILE . 86.3 m95 -52.79 -58.29 7.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 108.047 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.45 ' HG3' ' CD2' ' A' ' 82' ' ' PHE . 5.5 ttp180 -42.12 -35.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.252 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.01 -67.08 1.89 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.543 ' CE2' HG21 ' A' ' 133' ' ' VAL . 22.5 m-85 -44.79 -41.75 7.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.97 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.804 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.8 mp -67.57 -63.99 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.459 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 27.9 mt -42.07 -25.27 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.903 HG23 ' O ' ' A' ' 115' ' ' SER . 84.7 m -79.78 -62.73 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.535 HG22 ' HA ' ' A' ' 108' ' ' ILE . 15.5 m -58.33 -14.95 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.459 ' OG1' ' HA ' ' A' ' 109' ' ' LEU . 25.4 p -95.34 -53.87 3.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.356 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 114' ' ' LEU . 13.6 mt-10 -84.06 10.48 9.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.725 HD21 ' CD ' ' A' ' 141' ' ' ARG . 0.2 OUTLIER 39.32 33.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.903 ' O ' HG23 ' A' ' 110' ' ' THR . 0.3 OUTLIER -149.88 -162.89 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 48.7 t -126.71 122.1 23.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 122.85 7.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.804 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -92.02 25.78 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -124.96 42.76 3.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.1 m -116.42 151.2 18.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.32 -8.98 26.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 122' ' ' LEU . 1.6 tp -43.44 161.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.621 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.1 mm? -65.67 169.27 6.7 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.621 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.98 -8.01 19.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.731 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -96.65 -33.96 5.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -74.08 -43.68 56.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.02 -34.17 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.731 HD12 ' HA2' ' A' ' 125' ' ' GLY . 37.8 mt -51.01 -47.92 30.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -45.81 -58.28 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 45.1 mt -44.16 -40.44 5.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -67.16 -55.37 14.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.58 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -58.32 -52.88 63.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.543 HG21 ' CE2' ' A' ' 107' ' ' PHE . 46.2 t -50.69 -40.84 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.513 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.0 tp -59.11 -64.52 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -52.34 -27.08 14.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 2.4 mmt85 -64.77 -59.65 3.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.426 ' CD ' HD13 ' A' ' 114' ' ' LEU . 8.1 pt-20 -66.36 -38.52 87.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.513 ' HG3' HD12 ' A' ' 134' ' ' LEU . 7.1 mttm -39.45 -47.75 1.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 142' ' ' ILE . 65.0 mmtt -51.22 -52.89 40.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 137' ' ' GLU . 0.3 OUTLIER -39.24 -44.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.725 ' CD ' HD21 ' A' ' 114' ' ' LEU . 3.2 mtm180 -45.13 -45.25 11.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 139' ' ' LYS . 8.6 mt -41.6 -78.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -87.95 70.54 9.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 22.5 m -62.09 154.81 25.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -122.2 -155.43 9.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.488 1.117 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 130.95 13.85 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 56.9 p -170.7 101.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.8 t -93.15 -58.76 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.08 85.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 0.797 . . . . 0.0 110.029 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 m -153.56 165.99 34.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.9 175.24 35.91 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.08 167.57 12.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 0.765 . . . . 0.0 109.981 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 t -95.52 -59.25 1.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.23 87.82 0.55 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -178.21 74.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 110.303 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -117.05 95.28 4.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 0.0 110.348 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.21 84.99 4.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.45 159.42 29.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -87.02 147.6 25.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mp -41.51 -60.25 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -157.61 -52.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.454 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -168.62 126.91 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.871 HD21 ' HD2' ' A' ' 42' ' ' ARG . 48.2 tp -112.43 108.2 54.68 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.99 32.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.808 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.507 HD21 ' OE1' ' A' ' 21' ' ' GLU . 41.3 tp -98.42 150.07 22.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.949 ' CD2' HG13 ' A' ' 133' ' ' VAL . 18.9 m-30 -115.18 -70.06 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -120.17 171.47 8.46 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.507 ' OE1' HD21 ' A' ' 18' ' ' LEU . 3.4 pt-20 -173.2 112.83 0.22 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.259 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.49 166.54 38.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.596 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 2.3 m-85 -73.11 108.6 6.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.05 HD21 HD23 ' A' ' 93' ' ' LEU . 18.4 tp -113.32 156.01 24.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.785 HD23 ' C ' ' A' ' 35' ' ' GLU . 5.2 mt -103.89 121.95 44.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.432 HD11 HD23 ' A' ' 24' ' ' LEU . 14.5 mm -111.17 126.18 68.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 3.6 tttt -123.19 72.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -70.95 174.0 6.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.37 78.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.27 50.69 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.504 ' O ' ' CB ' ' A' ' 32' ' ' ARG . 2.0 m-85 -133.61 -46.72 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER 84.17 -48.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -133.63 134.5 43.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.566 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 47.5 m-85 -49.29 133.29 19.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.785 ' C ' HD23 ' A' ' 25' ' ' LEU . 76.2 mm-40 -111.0 140.28 45.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.325 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.596 ' CE1' ' HB3' ' A' ' 23' ' ' PHE . 10.5 t60 -83.84 119.57 25.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.577 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.561 ' CE1' HG22 ' A' ' 50' ' ' THR . 34.6 m-85 -142.41 135.3 28.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.554 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 59.1 t-105 -65.87 90.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.035 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.68 HG22 ' CH2' ' A' ' 104' ' ' TRP . 52.4 m -82.69 147.69 28.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.466 ' HG2' ' CB ' ' A' ' 21' ' ' GLU . 14.3 mt-10 -135.8 121.23 19.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -97.73 114.7 26.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.871 ' HD2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -132.64 138.99 47.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.644 ' HA2' ' CE2' ' A' ' 19' ' ' TYR . . . 43.25 -94.68 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 42' ' ' ARG . 2.3 p -141.72 21.68 2.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 0.752 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.6 m -120.65 131.61 54.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.479 ' CD2' ' HG ' ' A' ' 41' ' ' LEU . 74.4 mt -98.78 126.61 44.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' ' 39' ' ' THR . 59.6 m-85 -112.75 150.44 31.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.885 ' O ' HG12 ' A' ' 58' ' ' VAL . 12.1 m-85 -132.2 118.22 19.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 57' ' ' TYR . 90.3 m-85 -118.53 167.7 11.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.561 HG22 ' CE1' ' A' ' 37' ' ' TYR . 69.3 p -104.31 -28.03 11.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -161.66 148.41 14.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.247 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -48.32 -39.32 21.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -56.08 -49.69 73.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.5 m -41.93 123.94 2.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.6 mm -87.72 -47.01 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.162 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.3 mm -94.34 125.47 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.527 ' CZ ' ' HD3' ' A' ' 60' ' ' LYS . 36.6 p90 -65.16 136.36 56.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.885 HG12 ' O ' ' A' ' 48' ' ' PHE . 7.5 p -50.77 -33.68 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -178.04 156.19 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.527 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 4.9 pttt -130.84 155.98 45.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.0 mt -128.57 176.54 7.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.78 135.52 38.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.658 HG22 HD21 ' A' ' 86' ' ' LEU . 6.9 pt -132.68 29.58 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.4 -30.97 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.43 13.34 30.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.519 HD13 HD12 ' A' ' 84' ' ' LEU . 3.9 tp -40.57 132.57 2.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.81 -30.4 20.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 171.74 -177.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 108.328 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.552 HD12 HD13 ' A' ' 84' ' ' LEU . 1.3 tt -134.19 126.64 30.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.1 p -101.85 175.76 5.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -129.52 114.01 15.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.73 108.34 19.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 179.6 169.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -150.84 113.28 4.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.975 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.0 m 62.75 -80.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 74' ' ' SER . 3.0 mt-10 -64.27 151.82 42.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.76 104.25 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -124.15 107.7 11.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 80.7 m 60.86 156.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 108.309 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.494 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -85.75 115.34 23.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -119.92 122.78 42.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -147.79 150.57 34.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 91' ' ' VAL . 7.3 m -113.22 124.12 51.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.954 HD23 HD13 ' A' ' 93' ' ' LEU . 1.8 mm? -72.29 103.86 3.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.2 t -78.91 122.0 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.93 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.7 mt -123.52 157.91 60.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.01 9.44 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -114.54 -58.46 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.93 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.3 tt0 -156.99 148.29 22.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -87.03 156.15 19.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 83' ' ' THR . 69.6 t -135.48 144.46 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.448 ' C ' HD12 ' A' ' 93' ' ' LEU . 61.4 mt-30 -103.72 137.92 41.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 1.05 HD23 HD21 ' A' ' 24' ' ' LEU . 8.1 mp -127.91 157.26 41.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 6.1 tttt -154.2 148.51 26.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.633 HG22 ' CD1' ' A' ' 24' ' ' LEU . 70.1 p -126.05 167.69 14.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.391 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.12 -65.37 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -97.92 153.8 18.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 88.2 m -56.53 -47.44 79.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.461 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.414 ' C ' ' N ' ' A' ' 101' ' ' GLY . 1.1 mm-40 -45.78 -68.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.54 -29.8 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.966 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.494 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -64.13 -61.78 5.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -52.4 -35.46 51.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.47 ' HG3' HD11 ' A' ' 122' ' ' LEU . 3.9 mt-10 -58.47 -67.97 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.931 ' O ' HD12 ' A' ' 108' ' ' ILE . 62.5 m95 -50.01 -65.41 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -37.99 -61.3 0.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 110.26 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -55.06 -55.66 27.01 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.52 ' CE1' HG21 ' A' ' 133' ' ' VAL . 3.4 m-85 -49.47 -43.34 44.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.931 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.8 mp -66.98 -56.08 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.9 mt -48.05 -23.8 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.615 HG21 ' O ' ' A' ' 130' ' ' LEU . 57.1 m -82.54 -39.66 22.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.712 HG22 ' HA ' ' A' ' 108' ' ' ILE . 34.1 m -92.48 27.44 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 108' ' ' ILE . 40.0 p -142.92 -45.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.437 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.47 -15.83 44.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.565 HD21 ' HD2' ' A' ' 141' ' ' ARG . 1.3 mm? 70.73 23.11 4.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.45 ' O ' HG23 ' A' ' 110' ' ' THR . 0.1 OUTLIER -145.45 -158.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.002 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 48.8 t -130.91 123.43 20.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 120.61 6.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.87 -4.29 58.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -98.69 62.03 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.6 m -132.26 140.41 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.4 -6.55 57.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.485 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.1 OUTLIER -51.1 177.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.573 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -103.28 -175.47 0.39 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.5 Cg_endo -75.02 -11.0 21.43 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.783 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.714 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -90.54 -35.45 7.37 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.485 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 1.8 mt-30 -75.96 -49.62 17.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.6 t -44.36 -36.56 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.714 HD12 ' HA2' ' A' ' 125' ' ' GLY . 58.0 mt -49.41 -50.68 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.445 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 6.7 mmmm -48.45 -53.54 17.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.615 ' O ' HG21 ' A' ' 110' ' ' THR . 15.8 mt -51.46 -41.48 60.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -65.79 -52.83 47.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.569 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -60.57 -58.62 7.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.949 HG13 ' CD2' ' A' ' 19' ' ' TYR . 55.8 t -45.48 -43.26 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.591 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.4 tp -58.12 -69.49 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -46.61 -31.22 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.3 mmt-85 -63.83 -48.91 74.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 5.0 pt-20 -74.86 -30.56 61.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.591 ' HG3' HD12 ' A' ' 134' ' ' LEU . 25.5 mttt -50.1 -42.3 50.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -61.69 -64.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -46.63 -46.59 19.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.565 ' HD2' HD21 ' A' ' 114' ' ' LEU . 5.6 mmp_? -42.41 -35.4 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 95.9 mt -45.9 -82.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -86.75 62.69 7.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.6 t -169.11 138.89 2.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 116.62 162.79 13.02 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.108 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.26 24.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.484 1.781 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.57 154.75 25.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 99.7 p -54.25 -28.95 44.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.973 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 m -141.72 143.3 33.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.021 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -145.27 119.27 9.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.25 103.68 0.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -133.23 130.38 38.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 110.028 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.05 96.09 6.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.56 97.34 2.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 54.28 103.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 0.745 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.76 137.66 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.73 -55.68 3.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 59.02 157.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -151.14 113.61 4.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mp -42.21 -68.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.2 m -151.43 142.73 23.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.412 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.68 -56.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.427 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 2.7 mt 63.52 129.89 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 16' ' ' LEU . 18.4 Cg_endo -75.0 120.24 5.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.477 1.777 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.681 HD21 ' OE1' ' A' ' 40' ' ' GLU . 2.2 tm? -57.12 134.71 56.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.648 ' CD2' HG13 ' A' ' 133' ' ' VAL . 20.5 m-30 -110.9 -28.62 8.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 6.8 t80 -170.86 140.76 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.529 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 3.6 pt-20 -129.18 139.83 51.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.58 154.08 8.96 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -71.12 108.72 4.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 110.954 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.461 ' CD1' HG22 ' A' ' 95' ' ' THR . 13.1 tp -105.14 153.55 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.817 HD23 ' O ' ' A' ' 35' ' ' GLU . 12.7 mt -106.77 116.64 32.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 mm -108.8 128.95 64.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.563 ' HE2' ' CE2' ' A' ' 34' ' ' TYR . 2.1 ttpp -122.26 4.28 9.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.592 ' HA ' HG13 ' A' ' 91' ' ' VAL . 0.0 OUTLIER 36.08 -155.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.347 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.64 -20.55 22.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.59 -102.25 2.63 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.47 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 2.8 m-85 52.45 171.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 111.035 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.51 -23.1 10.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -178.38 146.77 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CE2' ' HE2' ' A' ' 27' ' ' LYS . 60.7 m-85 -49.91 122.76 7.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.817 ' O ' HD23 ' A' ' 25' ' ' LEU . 8.6 mm-40 -109.95 151.25 27.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.55 ' CD2' HD21 ' A' ' 25' ' ' LEU . 67.2 m80 -92.85 121.63 34.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 45.0 m-85 -141.43 137.56 32.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.529 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 72.9 t-105 -63.78 84.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.041 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.526 HG23 ' CD1' ' A' ' 48' ' ' PHE . 52.6 m -81.7 135.85 35.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.681 ' OE1' HD21 ' A' ' 18' ' ' LEU . 4.7 mm-40 -125.09 136.99 54.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.479 HD22 ' HD2' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -94.94 117.11 29.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.419 ' N ' HD23 ' A' ' 41' ' ' LEU . 15.3 mtt180 -135.27 126.91 28.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.33 -96.43 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -142.24 16.76 2.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.2 m -120.27 123.83 44.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.2 mt -80.38 113.07 18.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -101.26 119.46 38.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.526 ' CD1' HG23 ' A' ' 39' ' ' THR . 10.9 m-85 -102.27 139.76 37.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.417 ' O ' ' N ' ' A' ' 38' ' ' TRP . 75.9 m-85 -132.66 155.07 49.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.841 HG23 ' HB ' ' A' ' 58' ' ' VAL . 76.0 p -93.29 -28.57 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -160.07 152.97 21.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -38.68 78.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -56.49 -40.89 75.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.93 139.26 41.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.976 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.7 mt -106.29 -43.38 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.8 mt -87.9 105.2 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.487 ' CZ ' ' HD3' ' A' ' 60' ' ' LYS . 55.8 p90 -44.46 129.98 6.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.841 ' HB ' HG23 ' A' ' 50' ' ' THR . 6.2 p -52.11 -47.81 42.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.435 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -156.35 160.59 39.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.487 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 9.2 pttt -141.39 162.01 36.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.496 ' CD1' HG11 ' A' ' 91' ' ' VAL . 7.5 mt -135.84 176.16 8.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -136.31 131.77 34.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.814 HG22 HD21 ' A' ' 86' ' ' LEU . 6.7 pt -134.37 21.36 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.8 p -69.02 -32.15 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.45 16.71 22.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.577 ' HA ' HD23 ' A' ' 86' ' ' LEU . 2.4 tp -43.19 133.61 3.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -88.32 -30.76 19.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 110.355 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 170.61 -178.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.306 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.71 HD12 HD13 ' A' ' 84' ' ' LEU . 1.1 tt -132.92 128.43 36.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.7 p -99.79 168.71 9.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.386 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -127.83 119.17 25.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -85.42 111.32 19.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -117.25 96.14 5.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.11 70.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.028 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.4 m -161.82 159.11 26.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.389 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.431 ' O ' ' CG ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -86.24 62.08 7.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.431 ' CG ' ' O ' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -172.86 175.6 3.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -124.19 47.84 2.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.6 m -93.89 174.45 7.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 108.312 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.83 119.94 38.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -135.36 115.83 13.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.427 ' CE1' ' HB3' ' A' ' 93' ' ' LEU . 4.3 p90 -142.64 156.53 45.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 91' ' ' VAL . 3.0 m -115.04 137.83 51.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.354 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.71 HD13 HD12 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -86.2 111.94 20.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -84.86 125.16 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.814 HD21 HG22 ' A' ' 63' ' ' ILE . 2.7 mt -127.0 156.58 74.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.48 8.84 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.36 -57.34 2.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.751 ' O ' HD12 ' A' ' 86' ' ' LEU . 3.7 tt0 -158.13 151.32 23.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.21 142.57 27.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.592 HG13 ' HA ' ' A' ' 28' ' ' ARG . 66.8 t -124.44 139.44 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -91.36 138.05 31.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.709 HD13 HD23 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -129.49 144.11 51.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.518 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -146.94 147.3 30.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.501 HG21 ' HA2' ' A' ' 101' ' ' GLY . 8.8 p -123.7 -177.41 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.434 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -80.86 -48.2 12.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -146.05 166.93 24.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.1 m -51.6 -43.29 62.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -46.93 -63.85 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.51 -40.47 71.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.501 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -55.06 -66.38 2.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.705 ' OE2' HG12 ' A' ' 120' ' ' VAL . 1.4 mm-40 -39.16 -42.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 0.795 . . . . 0.0 110.336 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.573 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 2.6 mt-10 -55.56 -70.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.773 ' O ' HD12 ' A' ' 108' ' ' ILE . 84.0 m95 -49.63 -61.79 1.92 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 107.961 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -39.91 -45.17 1.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.06 -53.59 10.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.618 ' CE1' ' HB3' ' A' ' 129' ' ' LYS . 7.2 m-85 -53.79 -42.44 68.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.773 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.7 mp -65.26 -59.73 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 45.9 mt -45.49 -26.11 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.58 HG21 ' O ' ' A' ' 130' ' ' LEU . 96.4 m -80.68 -40.94 24.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 110.409 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.725 HG22 ' HA ' ' A' ' 108' ' ' ILE . 31.2 m -91.15 28.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 23.8 p -144.16 -45.42 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.47 -19.31 31.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 73.33 21.27 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.429 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -148.2 -179.76 7.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.442 HG23 HD23 ' A' ' 134' ' ' LEU . 57.8 t -108.02 125.05 32.96 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.39 18.92 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -95.69 -5.74 41.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -97.27 60.97 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.705 HG12 ' OE2' ' A' ' 102' ' ' GLU . 1.2 m -133.21 157.17 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.87 0.01 27.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.496 HD13 ' HB3' ' A' ' 102' ' ' GLU . 0.3 OUTLIER -52.08 -176.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.635 ' O ' HG23 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -108.96 -176.33 0.4 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.558 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.02 -20.23 17.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.588 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -87.16 -24.27 37.86 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.465 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 8.9 mm-40 -90.82 -36.65 14.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 123' ' ' LEU . 18.0 t -57.28 -42.35 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.588 HD12 ' HA2' ' A' ' 125' ' ' GLY . 25.1 mt -41.48 -49.81 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.618 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -45.62 -58.33 3.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.58 ' O ' HG21 ' A' ' 110' ' ' THR . 23.3 mt -47.97 -40.06 21.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -68.15 -55.97 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.594 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -57.67 -56.87 16.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.648 HG13 ' CD2' ' A' ' 19' ' ' TYR . 69.4 t -48.23 -48.45 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.571 HD12 ' HG3' ' A' ' 138' ' ' LYS . 4.1 tp -52.0 -68.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -50.15 -33.8 20.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.284 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.44 ' HB3' ' CE1' ' A' ' 19' ' ' TYR . 8.8 mmt180 -63.49 -55.18 26.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 141' ' ' ARG . 3.4 pt-20 -69.34 -25.91 64.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.571 ' HG3' HD12 ' A' ' 134' ' ' LEU . 10.1 mttm -51.3 -57.15 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 28.7 mmtm -43.37 -55.48 4.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 9.7 mtt-85 -67.85 -24.51 65.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.487 ' HG3' ' N ' ' A' ' 142' ' ' ILE . 0.0 OUTLIER -70.32 -24.34 62.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.487 ' N ' ' HG3' ' A' ' 141' ' ' ARG . 12.5 mt -63.19 -80.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -45.1 -64.23 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.13 118.79 37.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 165.76 179.52 39.43 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 178.67 6.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.523 1.802 . . . . 0.0 110.964 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.81 -59.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 19.1 t -155.28 128.61 8.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.973 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -164.84 160.76 19.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.75 . . . . 0.0 109.978 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -178.89 141.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.0 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.23 -133.43 7.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 t 61.79 138.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.14 104.86 12.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.982 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.72 -153.78 8.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.474 1.108 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -159.6 111.89 2.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.779 . . . . 0.0 110.355 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.72 141.04 28.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.26 72.45 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.348 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.0 mp -87.26 144.92 26.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.55 123.56 6.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -73.95 -42.93 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 t -139.76 129.72 24.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.416 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -111.89 -68.57 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.67 151.63 53.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HB3' ' NH1' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -75.0 118.16 5.17 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.487 1.783 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.907 HD21 ' OE1' ' A' ' 21' ' ' GLU . 3.0 tp -72.82 138.94 46.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.635 ' CD2' HG13 ' A' ' 133' ' ' VAL . 19.5 m-85 -119.47 -35.49 3.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -163.25 170.92 16.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.032 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.907 ' OE1' HD21 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -164.44 150.54 10.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.61 139.59 2.69 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -46.71 106.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 0.796 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.956 HD21 HD23 ' A' ' 93' ' ' LEU . 14.8 tp -106.91 152.34 24.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 35' ' ' GLU . 10.1 mt -106.03 134.9 48.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.167 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.2 mm -115.21 137.88 47.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.601 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -149.51 56.12 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.626 ' HG3' HG13 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -36.89 -56.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.87 -52.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.7 74.56 2.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.589 ' CE1' ' HG2' ' A' ' 35' ' ' GLU . 42.2 m-85 -150.59 -73.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.79 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' A' ' 31' ' ' TYR . 1.1 tmm_? 82.5 -47.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.553 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 3.3 tt0 -98.66 -2.71 37.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 110.339 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.601 ' CD2' ' HB2' ' A' ' 27' ' ' LYS . 14.6 m-85 58.79 149.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.868 ' O ' HD23 ' A' ' 25' ' ' LEU . 2.7 pt-20 -97.78 148.45 23.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.34 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.663 ' CE1' HD21 ' A' ' 25' ' ' LEU . 27.0 m80 -103.88 101.14 10.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.621 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' A' ' 35' ' ' GLU . 42.2 m-85 -132.6 140.06 48.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -67.43 95.74 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 108.016 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.443 HG21 HD23 ' A' ' 24' ' ' LEU . 5.7 m -83.81 139.3 32.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -128.41 129.42 46.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.437 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.1 OUTLIER -90.89 119.05 30.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -138.56 126.69 22.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.42 -100.32 0.06 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.95 ' HB ' HG12 ' A' ' 64' ' ' VAL . 3.0 p -138.33 11.07 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.432 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.6 m -118.83 126.66 52.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 110.433 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.4 mt -82.82 135.92 34.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.231 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.417 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 88.1 m-85 -123.45 129.32 51.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.447 ' O ' HG12 ' A' ' 58' ' ' VAL . 3.2 m-85 -116.75 130.77 56.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.498 ' CD2' ' HA ' ' A' ' 57' ' ' TYR . 59.1 m-85 -124.17 161.63 25.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.574 HG23 ' HB ' ' A' ' 58' ' ' VAL . 55.9 p -81.94 -20.18 39.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -165.11 173.28 11.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -72.25 -28.64 63.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -72.54 -29.68 63.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.75 138.59 14.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.2 mt -107.42 -48.88 8.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mt -92.72 99.48 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.498 ' HA ' ' CD2' ' A' ' 49' ' ' TYR . 53.7 p90 -40.29 130.04 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.574 ' HB ' HG23 ' A' ' 50' ' ' THR . 12.7 p -58.45 -31.36 43.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -168.48 145.89 4.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.9 pttt -125.81 163.51 22.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.788 HD11 HG11 ' A' ' 91' ' ' VAL . 6.6 mt -132.5 166.32 22.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.79 130.5 36.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.694 HD12 ' CG2' ' A' ' 112' ' ' THR . 9.1 pt -131.44 14.91 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.95 HG12 ' HB ' ' A' ' 44' ' ' THR . 3.1 m -62.26 -24.56 35.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -108.1 13.87 25.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.57 ' HA ' HD23 ' A' ' 86' ' ' LEU . 2.7 tp -39.36 132.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -86.74 -32.87 20.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 171.56 -179.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 108.289 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.542 HD12 HD13 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -133.02 127.31 33.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.3 p -100.74 171.42 7.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -128.28 120.54 27.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -100.07 109.14 21.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 176.03 140.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.2 t -135.46 81.95 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.951 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.0 m 50.93 70.28 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 77' ' ' LYS . 4.4 pt-20 -175.31 52.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -38.78 145.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -169.08 -50.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.241 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 30.7 p -165.57 170.57 14.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 108.283 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.565 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -82.64 119.93 24.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.58 117.41 19.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.564 ' CE2' ' HG2' ' A' ' 105' ' ' ARG . 2.7 p90 -145.83 158.03 43.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 111.052 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.8 m -112.99 128.4 56.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.435 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.695 HD23 HD13 ' A' ' 93' ' ' LEU . 2.3 mm? -76.37 102.61 6.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.3 t -79.0 119.77 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 89' ' ' GLU . 4.5 mt -125.83 157.14 69.99 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.67 8.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 111.055 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.54 -56.88 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.608 ' O ' HD12 ' A' ' 86' ' ' LEU . 3.9 tt0 -157.83 151.56 23.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -94.46 131.25 40.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.788 HG11 HD11 ' A' ' 61' ' ' LEU . 60.0 t -119.45 139.49 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.848 ' O ' HD12 ' A' ' 93' ' ' LEU . 34.9 mt-30 -94.09 154.6 17.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.956 HD23 HD21 ' A' ' 24' ' ' LEU . 4.5 mp -141.57 139.1 33.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.88 141.71 42.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.503 HG22 ' CD1' ' A' ' 24' ' ' LEU . 41.6 p -116.44 162.96 16.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.374 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -78.55 -65.18 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.62 150.98 20.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.9 m -60.79 -41.37 95.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 100' ' ' SER . 43.4 tt0 -55.76 -60.53 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -38.37 -43.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.565 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -50.91 -64.66 3.59 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.495 ' OE2' HG12 ' A' ' 120' ' ' VAL . 0.9 OUTLIER -44.31 -43.43 7.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 110.306 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.615 ' OE1' ' CD2' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -52.86 -69.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.821 ' O ' HD12 ' A' ' 108' ' ' ILE . 94.5 m95 -49.16 -61.83 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 107.972 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.564 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -37.41 -58.22 0.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.33 -59.12 10.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.637 ' CE1' HG21 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -47.19 -45.12 22.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.763 . . . . 0.0 110.97 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.821 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.5 mp -64.78 -60.04 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 35.7 mt -45.57 -26.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.612 HG21 ' O ' ' A' ' 130' ' ' LEU . 62.4 m -81.34 -39.81 24.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.439 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.752 HG22 ' HA ' ' A' ' 108' ' ' ILE . 24.9 m -92.27 28.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.694 ' CG2' HD12 ' A' ' 63' ' ' ILE . 24.4 p -144.35 -46.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -84.79 -13.15 52.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.727 HD21 ' CZ ' ' A' ' 141' ' ' ARG . 1.7 mm? 68.35 24.45 7.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 110' ' ' THR . 0.1 OUTLIER -144.03 -156.73 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.995 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 44.3 t -138.12 124.17 12.81 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 119.12 5.52 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -89.06 16.35 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -116.38 47.37 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.495 HG12 ' OE2' ' A' ' 102' ' ' GLU . 5.1 m -120.84 140.98 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.08 -8.12 59.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.455 ' HA ' HD12 ' A' ' 122' ' ' LEU . 1.8 tp -42.93 159.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.641 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.2 mm? -66.43 170.48 5.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.641 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -75.0 -8.71 20.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.79 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.613 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -96.15 -33.79 6.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 129' ' ' LYS . 28.0 mt-30 -73.16 -50.59 21.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 0.745 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 126' ' ' GLN . 2.1 t -40.55 -40.61 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.613 HD12 ' HA2' ' A' ' 125' ' ' GLY . 33.9 mt -50.67 -49.82 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 126' ' ' GLN . 6.6 mmmm -41.9 -56.49 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.612 ' O ' HG21 ' A' ' 110' ' ' THR . 12.3 mt -48.12 -42.96 30.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 128' ' ' ILE . 3.2 m-70 -63.27 -52.55 61.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.571 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -61.41 -60.16 4.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.637 HG21 ' CE1' ' A' ' 107' ' ' PHE . 48.1 t -42.38 -40.9 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.429 ' CD2' ' HA ' ' A' ' 115' ' ' SER . 3.4 tp -60.38 -72.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -43.88 -26.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.42 ' N ' ' C ' ' A' ' 134' ' ' LEU . 0.3 OUTLIER -68.62 -45.38 72.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.264 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 1.6 pt-20 -78.48 -30.34 47.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 26.4 mttm -50.23 -41.68 50.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -58.87 -61.9 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.81 -43.84 8.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.727 ' CZ ' HD21 ' A' ' 114' ' ' LEU . 15.6 mmt180 -50.54 -43.85 56.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 19.3 mt -43.62 -79.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -41.6 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.5 t -102.43 104.4 14.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 179.9 -164.61 32.56 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 76.39 3.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.459 1.768 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 41.8 m -84.28 167.83 16.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.02 84.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.475 1.11 . . . . 0.0 110.971 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 46.02 89.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 110.032 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -141.13 150.14 42.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.048 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.4 123.46 3.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 p -177.16 114.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.9 p -174.96 123.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.0 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.58 124.46 3.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.13 76.97 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 64.16 151.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -81.96 -54.72 5.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.1 mt 64.93 124.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -141.77 129.46 21.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -59.41 134.79 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 78.6 m -151.33 145.65 25.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 67.26 151.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.2 mm? -67.23 144.32 98.11 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 111.93 3.44 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 0.0 111.031 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.588 HD21 ' OE2' ' A' ' 21' ' ' GLU . 23.1 tp -59.66 144.72 47.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.564 ' CG ' HG13 ' A' ' 133' ' ' VAL . 18.7 m-85 -130.55 -55.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.544 ' CG ' ' CE2' ' A' ' 107' ' ' PHE . 10.6 t80 -138.07 160.23 39.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.588 ' OE2' HD21 ' A' ' 18' ' ' LEU . 2.3 pm0 -152.33 138.64 18.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.25 132.58 1.69 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -44.64 98.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.746 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.724 HD21 ' CD2' ' A' ' 93' ' ' LEU . 18.0 tp -101.91 155.02 18.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.707 HD23 ' C ' ' A' ' 35' ' ' GLU . 5.7 mt -105.93 127.5 53.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.8 mm -118.33 134.22 62.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.572 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 3.3 tttt -132.63 67.18 1.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.481 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 3.0 mtp180 -64.21 -175.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.57 -22.12 61.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.596 ' O ' ' CD1' ' A' ' 31' ' ' TYR . . . -119.38 84.49 0.37 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 30' ' ' GLY . 7.4 m-85 -159.93 -43.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.82 -51.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -134.63 128.35 32.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.572 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 37.4 m-85 -37.87 143.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.707 ' C ' HD23 ' A' ' 25' ' ' LEU . 45.3 mt-10 -127.75 145.17 51.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.29 123.74 33.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.56 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.456 ' CE1' HG22 ' A' ' 50' ' ' THR . 31.8 m-85 -144.56 141.81 29.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' TYR . 66.8 t-105 -65.62 86.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.6 HG23 ' CD1' ' A' ' 48' ' ' PHE . 91.0 m -82.32 139.16 34.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.379 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -132.19 133.28 44.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.568 HD21 HG21 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -91.3 121.51 33.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 44' ' ' THR . 89.2 mtt180 -137.69 126.96 24.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.89 -92.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.792 ' HB ' HG12 ' A' ' 64' ' ' VAL . 0.7 OUTLIER -145.2 17.47 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 0.738 . . . . 0.0 110.415 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 61' ' ' LEU . 18.2 m -119.92 128.39 53.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.179 . . . . 0.0 110.369 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 31.6 mt -84.59 112.86 20.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -101.39 119.32 38.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.168 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.6 ' CD1' HG23 ' A' ' 39' ' ' THR . 20.7 m-85 -104.29 128.7 52.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.475 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 78.5 m-85 -122.62 167.22 13.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.572 HG23 ' HB ' ' A' ' 58' ' ' VAL . 24.9 p -104.07 -29.29 10.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -161.06 171.18 19.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -30.75 54.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -61.66 -32.53 72.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.53 145.88 21.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.6 mt -97.52 -42.03 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -108.06 165.49 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.51 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 35.9 p90 -88.2 129.88 35.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.572 ' HB ' HG23 ' A' ' 50' ' ' THR . 11.7 p -48.5 -31.81 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -174.94 153.96 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 24.7 pttt -130.75 172.22 12.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.729 HD11 HG11 ' A' ' 91' ' ' VAL . 3.3 mt -132.97 -173.65 3.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -147.87 110.79 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.699 HG22 HD21 ' A' ' 86' ' ' LEU . 18.9 pt -125.21 24.65 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.792 HG12 ' HB ' ' A' ' 44' ' ' THR . 1.4 m -67.63 -40.26 83.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.68 24.61 6.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.579 ' HA ' HD23 ' A' ' 86' ' ' LEU . 1.4 tp -42.52 132.58 3.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.03 -36.68 19.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 172.17 -179.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 108.351 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.607 HD12 HD13 ' A' ' 84' ' ' LEU . 2.2 tt -132.42 126.27 32.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.1 p -96.25 175.13 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -128.85 121.07 27.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -83.71 114.71 21.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -53.4 114.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.7 p -107.2 147.69 29.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.991 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.5 m -111.39 120.8 43.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.437 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.75 169.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.3 mptt 56.82 104.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.8 113.96 3.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 94.1 m -151.4 157.8 42.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.31 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.472 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -108.75 117.17 33.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.14 116.69 20.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CD1' HD11 ' A' ' 69' ' ' LEU . 3.8 p90 -145.67 155.84 43.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.7 m -113.9 138.07 50.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.368 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.607 HD13 HD12 ' A' ' 69' ' ' LEU . 1.6 mm? -82.16 109.13 16.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 36.8 t -84.92 118.17 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.954 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.6 mt -123.61 157.16 63.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 0.45 8.91 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.519 1.799 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -114.62 -58.13 2.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.954 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.1 tt0 -158.14 149.93 21.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -90.5 155.3 19.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.729 HG11 HD11 ' A' ' 61' ' ' LEU . 53.6 t -139.11 138.08 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.407 ' O ' HD12 ' A' ' 93' ' ' LEU . 33.5 mt-30 -87.71 145.24 26.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.724 ' CD2' HD21 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -140.17 134.16 30.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -136.49 147.15 47.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.78 HG21 ' HA2' ' A' ' 101' ' ' GLY . 35.5 p -119.55 177.49 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -75.42 -44.55 43.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -146.97 161.72 40.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.1 m -45.43 -47.98 13.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.91 -74.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.251 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.5 m -44.08 -42.86 6.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.78 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -52.44 -58.26 11.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.438 ' OE2' HG12 ' A' ' 120' ' ' VAL . 0.9 OUTLIER -49.34 -41.45 38.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 0.779 . . . . 0.0 110.325 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.95 -68.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.827 ' O ' HD12 ' A' ' 108' ' ' ILE . 90.5 m95 -53.54 -59.73 4.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 108.035 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' TRP . 10.3 ttp180 -37.59 -57.01 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.18 -46.46 79.63 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.549 ' CZ ' ' HG2' ' A' ' 129' ' ' LYS . 0.2 OUTLIER -54.7 -42.18 71.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 111.019 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.827 HD12 ' O ' ' A' ' 104' ' ' TRP . 2.4 mp -68.56 -56.57 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 50.9 mt -46.2 -26.03 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.414 ' N ' ' C ' ' A' ' 108' ' ' ILE . 54.7 m -80.16 -40.55 27.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.708 HG22 ' HA ' ' A' ' 108' ' ' ILE . 34.4 m -92.4 30.34 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 24.0 p -146.2 -47.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.391 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -85.02 -11.18 55.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.646 HD12 ' NE ' ' A' ' 141' ' ' ARG . 2.7 mm? 64.15 25.21 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.364 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.474 ' HA ' HD22 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -142.98 -166.64 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 92.7 t -127.78 120.98 21.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.458 ' O ' HG22 ' A' ' 120' ' ' VAL . 18.2 Cg_endo -75.04 119.48 5.66 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.544 1.813 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -84.11 -15.26 47.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -90.23 61.44 5.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 117' ' ' PRO . 0.4 OUTLIER -129.04 151.58 35.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -12.61 60.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.477 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.1 OUTLIER -51.7 176.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.588 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -106.61 -174.19 0.31 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.588 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -75.02 -19.62 17.63 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.742 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -88.71 -18.65 54.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.467 1.104 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.477 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 0.7 OUTLIER -92.08 -36.5 13.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.753 . . . . 0.0 110.26 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.7 t -62.0 -27.09 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.742 HD12 ' HA2' ' A' ' 125' ' ' GLY . 49.9 mt -61.86 -40.95 88.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.549 ' HG2' ' CZ ' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -51.76 -60.05 3.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.431 ' CD2' ' HA ' ' A' ' 107' ' ' PHE . 68.6 mt -45.82 -55.26 6.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -43.11 -44.78 5.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.589 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -65.91 -55.33 17.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.564 HG13 ' CG ' ' A' ' 19' ' ' TYR . 97.3 t -51.19 -47.69 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.562 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.6 tp -51.93 -68.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -48.03 -30.82 4.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -52.99 52.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.274 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -71.67 -25.43 62.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.562 ' HG3' HD12 ' A' ' 134' ' ' LEU . 17.8 mttt -52.7 -52.14 57.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.42 -50.6 16.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.86 -51.58 3.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.646 ' NE ' HD12 ' A' ' 114' ' ' LEU . 2.1 mtt180 -38.89 -36.01 0.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 95.5 mt -45.26 -80.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -90.63 72.49 6.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.326 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.75 -59.7 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 138.46 161.18 8.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 114.53 4.05 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.511 1.795 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.3 m -125.17 127.36 46.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 50.8 m -117.7 164.93 14.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.43 117.11 5.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 0.75 . . . . 0.0 110.022 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.6 t -71.75 169.3 15.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.11 -165.59 11.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.0 m -139.72 170.36 16.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 109.987 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 m -159.44 165.62 32.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.42 -160.12 3.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.118 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -169.29 92.62 0.26 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 0.753 . . . . 0.0 110.274 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -173.73 -46.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.3 100.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -77.1 -174.7 3.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.93 85.27 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -119.1 141.65 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.3 m -97.34 86.69 3.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.447 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.74 179.57 7.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.497 HD23 ' HZ ' ' A' ' 47' ' ' PHE . 3.8 mm? -53.06 145.01 25.47 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 16' ' ' LEU . 18.4 Cg_endo -74.93 110.97 3.22 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.498 1.789 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.431 HD21 ' OE1' ' A' ' 21' ' ' GLU . 6.4 tp -64.58 137.56 57.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.725 ' CG ' HG13 ' A' ' 133' ' ' VAL . 25.0 m-85 -120.9 -36.97 3.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 55.8 t80 -160.94 151.56 18.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' OE1' HD21 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -139.09 161.21 37.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.45 131.07 1.2 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.524 1.14 . . . . 0.0 111.048 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -44.13 111.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.835 HD21 ' CD2' ' A' ' 93' ' ' LEU . 28.0 tp -114.5 156.45 24.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 34' ' ' TYR . 11.4 mt -104.71 128.21 52.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.409 ' CD1' ' CE1' ' A' ' 48' ' ' PHE . 12.0 mm -115.99 134.87 57.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.54 ' HE2' ' CD2' ' A' ' 34' ' ' TYR . 6.5 ttpt -132.73 114.37 14.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.426 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 6.5 mtp180 -130.89 -177.61 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.48 99.7 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.83 -48.87 0.95 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.152 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.452 ' O ' ' CB ' ' A' ' 32' ' ' ARG . 15.2 m-85 -38.38 -52.15 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 111.048 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 31' ' ' TYR . 0.3 OUTLIER 80.9 -51.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -135.27 132.28 37.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.688 ' HB3' HD22 ' A' ' 25' ' ' LEU . 47.8 m-85 -37.84 130.58 1.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.683 ' C ' HD23 ' A' ' 25' ' ' LEU . 71.0 mm-40 -109.39 140.37 43.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.593 ' CE1' HD21 ' A' ' 25' ' ' LEU . 72.5 m80 -86.7 104.09 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.585 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.519 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 33.0 m-85 -127.16 139.03 53.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -64.07 92.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 108.02 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.541 HG22 ' CH2' ' A' ' 104' ' ' TRP . 23.1 m -82.71 142.94 31.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.434 ' OE1' ' CE1' ' A' ' 49' ' ' TYR . 20.5 mt-10 -135.67 123.15 22.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.613 HD21 HG21 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -91.01 118.27 30.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.404 ' HG2' HD12 ' A' ' 18' ' ' LEU . 24.1 mtm180 -138.59 127.04 23.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.15 -103.84 0.39 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.0 p -139.67 28.23 2.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 0.761 . . . . 0.0 110.377 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 61' ' ' LEU . 2.4 m -133.04 125.77 30.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.366 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.8 mt -79.01 119.35 22.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.497 ' HZ ' HD23 ' A' ' 16' ' ' LEU . 60.4 m-85 -105.64 134.0 49.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.412 ' O ' HG12 ' A' ' 58' ' ' VAL . 24.2 m-85 -118.68 129.46 55.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 56' ' ' ILE . 47.1 m-85 -118.06 156.3 28.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.473 HG23 ' HB2' ' A' ' 54' ' ' SER . 76.6 p -60.03 -51.89 67.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.414 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -157.58 -51.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.7 tttt 176.34 -36.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.406 ' O ' ' CG1' ' A' ' 55' ' ' ILE . 63.7 mmtt -85.28 8.63 17.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -59.28 -21.53 59.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.528 ' HB ' HD12 ' A' ' 56' ' ' ILE . 0.6 OUTLIER 67.81 -65.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.697 HG22 ' HD1' ' A' ' 57' ' ' TYR . 4.4 mp -92.32 -113.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.697 ' HD1' HG22 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -162.89 149.26 12.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 48' ' ' PHE . 5.5 p -82.1 -33.48 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.73 160.89 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.426 ' HD2' HG21 ' A' ' 45' ' ' THR . 6.3 pttt -139.01 175.64 9.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 45' ' ' THR . 11.7 mt -148.89 160.63 43.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -121.56 127.57 51.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.809 HD12 ' CG2' ' A' ' 112' ' ' THR . 10.3 pt -125.79 20.46 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.9 p -68.54 -32.24 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.6 19.43 20.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.661 ' HA ' HD23 ' A' ' 86' ' ' LEU . 1.1 tp -45.87 126.93 7.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -78.38 -46.4 20.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.1 m -175.8 -178.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 108.307 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.506 HD12 HD13 ' A' ' 84' ' ' LEU . 1.2 tt -131.53 126.9 36.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.401 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 36.8 p -101.37 171.84 7.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.409 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -129.92 116.86 19.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -76.48 131.85 39.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -42.54 152.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.24 173.42 11.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.1 p -66.86 -58.35 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -176.28 77.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.255 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 44.7 79.11 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.375 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -121.61 -55.67 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 32.1 p -138.99 166.16 25.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 108.295 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.41 129.47 35.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -135.94 113.32 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.482 ' CD1' HD11 ' A' ' 69' ' ' LEU . 4.3 p90 -144.01 154.62 43.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 91' ' ' VAL . 2.3 m -113.59 140.03 48.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.426 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 84' ' ' LEU . 1.3 mm? -85.27 114.39 22.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.5 t -93.06 118.44 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.661 HD23 ' HA ' ' A' ' 66' ' ' LEU . 4.0 mt -123.69 156.53 64.72 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.29 9.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -112.49 -55.46 2.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.599 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.0 tt0 -159.39 150.72 20.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -95.67 143.44 26.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.607 ' O ' HG23 ' A' ' 83' ' ' THR . 74.6 t -126.89 152.17 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -102.75 134.09 46.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.835 ' CD2' HD21 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -126.35 151.61 47.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.252 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.503 ' HE2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -154.02 141.99 20.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.655 HG21 ' HA2' ' A' ' 101' ' ' GLY . 39.6 p -112.06 157.5 20.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.97 -63.77 1.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -96.04 139.11 32.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -44.07 -42.4 6.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -51.94 -60.18 3.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.77 -39.08 1.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.014 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.655 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -54.09 -68.35 1.7 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.43 -37.34 16.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.78 . . . . 0.0 110.269 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.99 -67.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.838 ' O ' HD12 ' A' ' 108' ' ' ILE . 95.6 m95 -54.37 -62.19 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 108.027 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -38.19 -48.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.62 -61.27 3.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 20' ' ' PHE . 5.9 m-85 -43.64 -45.1 6.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.838 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.8 mp -65.22 -62.19 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.3 mt -45.24 -25.43 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.546 HG21 ' O ' ' A' ' 130' ' ' LEU . 99.1 m -81.14 -41.01 23.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.427 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.635 HG22 ' HA ' ' A' ' 108' ' ' ILE . 26.9 m -91.64 30.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.809 ' CG2' HD12 ' A' ' 63' ' ' ILE . 23.7 p -147.99 -44.88 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.444 ' C ' ' N ' ' A' ' 115' ' ' SER . 7.4 mt-10 -97.16 9.64 41.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.762 HD21 ' HE ' ' A' ' 141' ' ' ARG . 4.5 mp 40.04 29.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.444 ' N ' ' C ' ' A' ' 113' ' ' GLU . 5.5 t -140.86 168.36 19.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.056 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.482 HG13 ' HB2' ' A' ' 130' ' ' LEU . 56.3 t -110.5 118.08 49.68 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.12 5.94 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.489 1.784 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.1 -12.84 40.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -85.9 48.94 1.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 32.8 m -122.24 -177.84 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 122' ' ' LEU . 0.1 OUTLIER -120.9 -3.44 9.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.962 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.698 HD22 ' CB ' ' A' ' 126' ' ' GLN . 3.3 mt -45.94 171.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.767 HD22 ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -97.03 -178.69 0.77 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.552 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.08 -9.07 20.51 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -93.31 -30.7 8.98 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.549 1.156 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.698 ' CB ' HD22 ' A' ' 122' ' ' LEU . 83.8 mm-40 -86.81 -60.15 2.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.73 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.494 ' C ' ' O ' ' A' ' 126' ' ' GLN . 15.0 t -33.59 -51.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 124' ' ' PRO . 68.4 mt -41.58 -54.84 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 126' ' ' GLN . 7.4 mmmm -38.06 -59.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.546 ' O ' HG21 ' A' ' 110' ' ' THR . 5.3 mt -44.36 -48.83 9.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 128' ' ' ILE . 1.8 m-70 -57.35 -62.06 2.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.591 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -54.21 -60.37 3.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.725 HG13 ' CG ' ' A' ' 19' ' ' TYR . 74.7 t -44.21 -46.78 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.479 HD23 HG23 ' A' ' 116' ' ' VAL . 3.2 tp -54.98 -73.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -48.5 -22.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -52.35 23.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 110.251 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.559 ' OE2' HD12 ' A' ' 114' ' ' LEU . 9.8 pt-20 -73.13 -37.76 66.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 32.4 mttt -42.76 -49.29 5.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 142' ' ' ILE . 0.7 OUTLIER -55.99 -52.29 64.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 4.3 ttp85 -41.27 -41.66 1.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.762 ' HE ' HD21 ' A' ' 114' ' ' LEU . 3.5 mmt180 -50.42 -42.76 54.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.249 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 139' ' ' LYS . 54.4 mt -41.53 -77.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -41.31 -59.33 1.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.324 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 39.5 t -140.06 133.21 29.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.032 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 145.33 -171.45 26.41 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 173.45 14.49 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.11 129.0 24.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.018 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 37.5 t -124.5 -58.09 1.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.032 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -148.12 119.53 7.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.754 . . . . 0.0 109.991 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.54 80.17 1.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.048 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.87 134.16 4.99 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.37 93.18 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 110.039 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.2 -57.91 3.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.988 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.97 -85.42 0.38 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 56.56 80.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.774 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -97.36 139.32 33.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -125.11 85.06 2.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 mp -86.88 157.19 19.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -88.78 -65.75 0.99 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.098 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.403 ' O ' ' HB ' ' A' ' 14' ' ' THR . 3.3 mt -89.07 140.57 15.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 13' ' ' ILE . 4.7 t -176.51 141.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.42 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.23 -75.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.524 HD23 ' CZ ' ' A' ' 47' ' ' PHE . 2.7 mm? -63.16 142.55 97.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 119.28 5.58 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 tp -64.24 138.67 58.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.797 ' CG ' HG13 ' A' ' 133' ' ' VAL . 17.6 m-85 -125.07 -40.3 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.554 ' HB2' ' CE2' ' A' ' 107' ' ' PHE . 7.6 t80 -161.56 149.2 14.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.04 141.41 36.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.17 143.39 4.5 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -54.2 104.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 0.743 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.771 HD21 HD23 ' A' ' 93' ' ' LEU . 14.0 tp -102.25 153.01 20.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.71 HD23 ' O ' ' A' ' 35' ' ' GLU . 13.7 mt -104.81 120.94 42.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.503 HG21 ' HD2' ' A' ' 28' ' ' ARG . 11.7 mm -113.14 131.91 63.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -126.24 55.86 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.503 ' HD2' HG21 ' A' ' 26' ' ' ILE . 7.7 mtp180 -57.09 170.5 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.8 p -65.26 77.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 28' ' ' ARG . . . 143.62 62.9 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.521 ' O ' ' CB ' ' A' ' 32' ' ' ARG . 2.7 m-85 -146.6 -58.12 0.29 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 0.766 . . . . 0.0 111.057 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' ' 31' ' ' TYR . 2.9 tpt85 87.27 -40.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -134.87 124.59 25.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.652 ' HB3' HD22 ' A' ' 25' ' ' LEU . 47.7 m-85 -48.52 131.73 17.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.71 ' O ' HD23 ' A' ' 25' ' ' LEU . 13.4 mm-40 -110.38 144.37 39.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.537 ' CE1' HD21 ' A' ' 25' ' ' LEU . 73.7 m80 -89.07 117.04 27.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.593 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.463 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 33.0 m-85 -133.79 138.22 45.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -68.46 85.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 107.988 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.424 HG22 ' CH2' ' A' ' 104' ' ' TRP . 3.6 m -82.02 146.8 29.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.412 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -135.24 127.69 30.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.567 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.8 OUTLIER -90.77 122.7 33.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.355 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.41 ' N ' HD23 ' A' ' 41' ' ' LEU . 17.5 mtp180 -142.94 127.69 18.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.23 -96.31 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.6 p -147.33 21.14 1.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 110.384 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 m -124.55 116.24 22.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.443 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.2 mt -74.73 117.37 16.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.557 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 67.4 m-85 -106.06 132.97 51.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.413 ' CE2' HD12 ' A' ' 61' ' ' LEU . 6.7 m-85 -118.45 143.89 46.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 47' ' ' PHE . 39.1 m-85 -144.42 139.24 28.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.45 HG23 ' HB ' ' A' ' 58' ' ' VAL . 5.1 p -48.83 -37.21 18.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.4 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.44 -164.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -64.43 -44.68 90.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' SER . 3.8 mmmm -50.58 -23.44 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.465 ' CB ' ' HB3' ' A' ' 49' ' ' TYR . 88.0 p -38.85 118.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.81 -56.19 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 64.2 mt -107.66 -81.91 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER 179.36 148.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.45 ' HB ' HG23 ' A' ' 50' ' ' THR . 13.1 p -85.56 -31.96 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.502 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . 0.7 OUTLIER 174.62 169.26 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -149.36 167.42 26.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.413 HD12 ' CE2' ' A' ' 48' ' ' PHE . 12.7 mt -138.05 176.74 8.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -135.82 133.55 37.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.64 HD12 HG23 ' A' ' 108' ' ' ILE . 12.1 pt -130.16 15.86 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.75 -40.26 83.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.52 18.72 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.519 ' HA ' HD23 ' A' ' 86' ' ' LEU . 1.3 tp -48.7 128.48 15.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.478 ' HB ' HG12 ' A' ' 85' ' ' VAL . 1.1 m -80.01 -33.04 39.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 169.66 -177.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 108.342 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.728 HD12 HD13 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -137.95 131.55 31.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 71' ' ' GLU . 9.1 t -117.08 -169.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.417 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.45 ' N ' ' OG1' ' A' ' 70' ' ' THR . 8.6 mt-10 -129.03 112.9 14.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.7 125.2 46.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -79.81 175.01 11.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.95 -71.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.2 m -83.12 151.77 25.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.418 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.96 178.11 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 68.09 132.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -69.91 111.01 5.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -142.83 170.13 16.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 108.296 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.36 114.25 13.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -133.73 114.87 13.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.482 ' CD1' HD11 ' A' ' 69' ' ' LEU . 4.1 p90 -144.8 157.77 44.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 91' ' ' VAL . 3.0 m -116.76 139.52 50.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.728 HD13 HD12 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -87.1 114.14 23.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.478 HG12 ' HB ' ' A' ' 67' ' ' THR . 46.7 t -88.22 117.81 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.736 HD12 ' O ' ' A' ' 89' ' ' GLU . 2.9 mt -121.98 156.82 59.16 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.21 9.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.462 1.769 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -113.03 -58.36 2.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.736 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.2 tt0 -156.03 148.51 23.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.81 134.02 34.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 83' ' ' THR . 73.6 t -115.69 148.17 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -104.99 140.13 38.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.771 HD23 HD21 ' A' ' 24' ' ' LEU . 1.9 mp -130.47 146.74 52.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.97 147.4 31.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.7 p -127.47 152.9 46.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -100.23 46.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 168.14 155.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 95.6 m -81.08 -25.97 36.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.438 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -63.88 -65.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.0 m -58.48 -31.42 67.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.958 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.93 -54.9 32.0 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.522 ' HB3' HD13 ' A' ' 122' ' ' LEU . 2.2 mt-10 -66.3 -37.81 86.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 0.728 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.601 ' OE1' ' CD2' ' A' ' 107' ' ' PHE . 0.1 OUTLIER -52.9 -66.34 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.827 ' O ' HD12 ' A' ' 108' ' ' ILE . 88.9 m95 -52.33 -64.59 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 108.05 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 104' ' ' TRP . 9.5 ttp180 -37.33 -42.71 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.68 -67.77 1.78 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.679 ' CE1' HG21 ' A' ' 133' ' ' VAL . 1.4 m-85 -42.42 -40.99 2.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.763 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.827 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.6 mp -65.25 -60.48 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 51.2 mt -44.65 -26.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 115' ' ' SER . 91.8 m -80.1 -42.52 23.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.454 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.648 HG22 ' HA ' ' A' ' 108' ' ' ILE . 27.3 m -90.1 29.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 63' ' ' ILE . 19.3 p -142.87 -45.59 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.442 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -88.71 -17.03 30.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 73.68 22.24 2.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.671 ' O ' HG23 ' A' ' 110' ' ' THR . 1.2 t -141.67 -157.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.6 HG13 ' HB2' ' A' ' 130' ' ' LEU . 38.9 t -137.37 127.86 15.87 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 115.72 4.36 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -89.17 -18.18 27.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -93.64 27.05 2.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.563 HG22 ' H ' ' A' ' 121' ' ' SER . 0.6 OUTLIER -82.3 -171.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.563 ' H ' HG22 ' A' ' 120' ' ' VAL . 0.4 OUTLIER -116.17 -28.82 6.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.959 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.522 HD13 ' HB3' ' A' ' 102' ' ' GLU . 1.5 tp -40.02 158.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.648 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.2 mm? -65.41 170.88 3.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.648 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.5 Cg_endo -75.03 -8.37 19.98 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.767 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -96.51 -33.89 6.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 129' ' ' LYS . 28.3 mt-30 -72.74 -48.44 38.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 110.308 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 t -43.25 -35.56 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.767 HD12 ' HA2' ' A' ' 125' ' ' GLY . 24.2 mt -52.89 -45.14 50.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 126' ' ' GLN . 5.2 mmmm -46.5 -52.03 14.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.604 HD22 ' HA ' ' A' ' 107' ' ' PHE . 5.5 mt -53.16 -46.61 68.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.401 ' HA ' HG21 ' A' ' 116' ' ' VAL . 6.4 m-70 -53.58 -52.94 58.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.56 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -66.75 -58.4 5.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.797 HG13 ' CG ' ' A' ' 19' ' ' TYR . 39.5 t -44.82 -36.79 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.402 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 5.6 tp -59.23 -70.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 138' ' ' LYS . 2.5 pt-20 -43.39 -36.44 1.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 1.7 mpt_? -58.89 -60.35 4.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.47 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 0.9 OUTLIER -63.69 -26.79 68.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.47 ' N ' ' HG2' ' A' ' 137' ' ' GLU . 15.1 mttm -52.58 -57.83 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 138' ' ' LYS . 12.7 mmtt -39.82 -46.97 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 15.2 ttp85 -76.46 -35.51 58.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.483 ' HG3' ' N ' ' A' ' 142' ' ' ILE . 0.0 OUTLIER -58.28 -25.09 61.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.483 ' N ' ' HG3' ' A' ' 141' ' ' ARG . 91.9 mt -51.19 -82.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 142' ' ' ILE . 37.3 mt-10 -38.25 -67.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.68 116.55 28.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -153.35 -176.72 26.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 159.61 41.06 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 40.5 p -93.43 160.93 14.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 25.6 p -42.36 144.31 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.64 140.54 49.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 0.0 109.972 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.46 94.05 1.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.995 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.0 96.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.15 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.27 102.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.74 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.4 p -179.59 94.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.76 74.41 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.09 -58.4 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.785 . . . . 0.0 110.302 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -59.21 122.57 14.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 12' ' ' LYS . 17.2 mmt180 -69.0 -50.29 50.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.2 mt 66.0 -75.13 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 10' ' ' ARG . 7.0 ttpt -40.18 -57.76 1.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mm 65.52 -77.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 12' ' ' LYS . 31.2 m 60.93 90.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.42 74.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.544 HD13 ' CE2' ' A' ' 47' ' ' PHE . 2.1 mt -117.25 113.7 38.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HB3' ' NH1' ' A' ' 136' ' ' ARG . 18.4 Cg_endo -74.99 118.92 5.44 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.451 1.764 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.471 HD21 ' CD ' ' A' ' 21' ' ' GLU . 15.5 tp -57.28 149.41 20.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.634 ' CG ' HG13 ' A' ' 133' ' ' VAL . 21.6 m-85 -129.53 -46.5 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.521 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 9.8 t80 -150.95 150.65 31.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.471 ' CD ' HD21 ' A' ' 18' ' ' LEU . 9.3 pm0 -147.25 144.88 29.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.54 131.88 1.37 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -41.04 102.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 0.715 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.757 HD21 ' CD2' ' A' ' 93' ' ' LEU . 21.6 tp -108.07 149.1 28.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.009 HD21 ' CD2' ' A' ' 36' ' ' HIS . 11.3 mt -100.87 130.23 46.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.2 mm -113.31 130.47 67.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.564 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 9.7 tttt -125.8 71.81 1.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.567 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -48.08 173.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.0 m -54.36 -47.74 72.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.043 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.73 73.12 0.22 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.567 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -126.75 115.38 19.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 0.783 . . . . 0.0 111.011 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -38.84 -30.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 31' ' ' TYR . 3.0 pt-20 174.07 170.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.585 ' HB3' HD22 ' A' ' 25' ' ' LEU . 60.0 m-85 -52.49 124.02 12.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.534 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 38.7 mm-40 -101.89 135.81 42.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 1.009 ' CD2' HD21 ' A' ' 25' ' ' LEU . 11.3 m80 -88.25 120.53 29.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.632 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 29.8 m-85 -150.31 136.18 18.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' TYR . 70.6 t-105 -61.42 89.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 108.012 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.546 HG23 ' CD1' ' A' ' 48' ' ' PHE . 53.1 m -82.47 135.49 35.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.424 ' OE1' ' NH2' ' A' ' 42' ' ' ARG . 20.5 mt-10 -126.21 127.98 46.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.341 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -91.3 119.32 31.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.424 ' NH2' ' OE1' ' A' ' 40' ' ' GLU . 29.8 mtt180 -137.65 128.38 26.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 49.85 -95.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.411 HG22 ' HB ' ' A' ' 111' ' ' VAL . 7.1 p -144.65 23.78 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.1 m -126.94 119.85 27.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.8 mt -79.02 119.13 21.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.544 ' CE2' HD13 ' A' ' 16' ' ' LEU . 81.1 m-85 -110.15 118.78 37.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.546 ' CD1' HG23 ' A' ' 39' ' ' THR . 10.1 m-85 -102.16 138.01 39.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.536 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 70.8 m-85 -132.19 168.54 17.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.8 p -79.22 -47.74 15.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 110.375 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.54 -70.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.12 -59.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.35 -31.96 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -50.58 120.63 4.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.4 mm -84.91 -50.81 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' TYR . 15.2 mm -90.67 97.57 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.536 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 49.5 p90 -37.42 133.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.4 p -55.86 -45.06 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.358 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -158.18 160.92 37.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -143.03 168.62 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 61' ' ' LEU . 11.9 mt -147.29 159.49 43.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -125.93 127.73 46.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.67 HD12 HG23 ' A' ' 108' ' ' ILE . 27.4 pt -126.46 25.96 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.3 p -69.41 -40.88 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.08 20.17 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.504 HD13 HD12 ' A' ' 84' ' ' LEU . 5.4 tp -51.2 130.88 27.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.1 m -81.27 -35.37 31.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 175.44 -173.82 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.522 HD12 HD13 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -131.69 129.95 41.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.5 p -105.83 168.21 9.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -129.62 115.28 17.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -65.42 114.29 4.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -144.34 142.38 30.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.45 -55.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 110.019 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.5 m -112.06 148.94 32.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.405 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -43.8 98.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.34 -173.8 2.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -153.42 172.73 16.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 77.1 m 61.97 157.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 108.318 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.58 127.45 33.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -136.02 114.48 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.521 ' CD1' HD11 ' A' ' 69' ' ' LEU . 7.1 p90 -139.09 156.79 46.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.9 m -114.63 145.13 42.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.445 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.605 HD22 ' N ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -90.67 102.07 14.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.247 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.9 t -76.92 103.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.903 HD12 ' O ' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -110.9 156.15 41.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 1.16 8.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.488 1.783 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -113.72 -59.16 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.903 ' O ' HD12 ' A' ' 86' ' ' LEU . 5.3 tt0 -155.94 149.35 24.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -88.86 144.2 26.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.4 t -132.59 138.13 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -92.83 148.43 22.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.757 ' CD2' HD21 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -136.16 133.6 37.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -144.0 141.65 30.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.645 HG22 ' CD1' ' A' ' 24' ' ' LEU . 10.0 p -114.01 -165.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.386 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.86 -68.65 0.79 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.362 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -89.07 166.44 13.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.8 m -70.55 -46.04 64.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.409 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -51.77 -64.41 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 m -42.23 -32.47 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.97 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.409 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -56.11 -63.3 5.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.145 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -53.41 -33.3 53.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 0.763 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.521 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 2.5 tt0 -52.97 -66.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.825 ' O ' HD12 ' A' ' 108' ' ' ILE . 77.3 m95 -53.16 -65.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -37.67 -41.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.37 -62.22 4.8 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.659 ' HA ' HD22 ' A' ' 130' ' ' LEU . 4.9 m-85 -52.32 -39.06 60.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 110.978 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.825 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.6 mp -65.1 -61.45 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.8 mt -44.46 -26.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 134' ' ' LEU . 64.3 m -79.15 -44.17 22.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.371 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.542 HG22 ' HA ' ' A' ' 108' ' ' ILE . 20.6 m -88.68 30.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.406 HG21 HD22 ' A' ' 66' ' ' LEU . 25.1 p -145.64 -45.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.368 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -86.79 -16.16 37.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.248 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.425 ' HG ' ' NH2' ' A' ' 141' ' ' ARG . 1.3 mm? 70.88 18.83 5.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' A' ' 110' ' ' THR . 0.1 OUTLIER -145.96 176.91 9.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.979 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.61 HG13 ' HB2' ' A' ' 130' ' ' LEU . 37.8 t -107.9 126.57 29.5 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.522 1.801 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -89.37 -17.65 28.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.359 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -92.55 23.06 4.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.565 HG22 ' H ' ' A' ' 121' ' ' SER . 0.7 OUTLIER -78.98 -171.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.565 ' H ' HG22 ' A' ' 120' ' ' VAL . 0.3 OUTLIER -116.97 -31.61 5.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.014 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 122' ' ' LEU . 1.2 tp -40.12 159.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.622 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.4 mm? -66.44 169.86 6.7 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.622 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.2 Cg_endo -75.0 -7.05 18.81 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.492 1.785 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.826 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -97.02 -35.17 5.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -73.21 -43.49 61.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 0.735 . . . . 0.0 110.242 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.9 -38.71 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.826 HD12 ' HA2' ' A' ' 125' ' ' GLY . 14.3 mt -47.53 -41.87 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -49.03 -50.39 36.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.659 HD22 ' HA ' ' A' ' 107' ' ' PHE . 9.9 mt -55.53 -47.21 76.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.477 ' HA ' HG21 ' A' ' 116' ' ' VAL . 9.2 m-70 -50.12 -56.58 10.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.616 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.91 -55.9 12.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.65 HG21 ' CE1' ' A' ' 107' ' ' PHE . 32.2 t -48.14 -35.07 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.533 HD11 ' HD3' ' A' ' 138' ' ' LYS . 4.8 tp -61.59 -74.93 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.417 ' O ' ' CD ' ' A' ' 139' ' ' LYS . 33.6 mt-10 -44.34 -25.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.416 ' N ' ' C ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -64.85 -38.34 90.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.536 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 1.2 pt-20 -88.77 -31.43 18.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.536 ' N ' ' HG2' ' A' ' 137' ' ' GLU . 6.6 mtmp? -53.62 -32.6 51.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.417 ' CD ' ' O ' ' A' ' 135' ' ' GLU . 1.7 mptt -63.88 -49.19 73.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.462 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 48.1 mtp85 -47.04 -37.41 9.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.425 ' NH2' ' HG ' ' A' ' 114' ' ' LEU . 0.7 OUTLIER -51.92 -38.42 56.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 71.6 mt -42.21 -79.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -49.67 -58.85 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 5.6 t -98.07 91.24 5.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.954 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 178.28 171.65 41.85 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 150.98 38.77 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 13.6 m -95.56 141.52 28.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.035 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.44 -58.2 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.041 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 p -130.61 -50.65 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.978 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.41 -87.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.981 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.03 102.14 0.21 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -164.51 112.05 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -130.83 146.27 52.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.55 -172.06 47.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -162.37 94.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 46.64 68.08 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 98.74 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 mp -48.12 163.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.76 100.71 13.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mp -113.11 143.81 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.682 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 3.8 t -158.14 153.79 26.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 82.78 -68.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.825 HD11 ' N ' ' A' ' 43' ' ' GLY . 20.3 tp -110.15 101.98 49.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.469 ' CG ' ' HD2' ' A' ' 136' ' ' ARG . 18.4 Cg_endo -75.03 137.73 22.02 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.77 HD12 ' CG ' ' A' ' 42' ' ' ARG . 4.7 tp -74.67 144.48 43.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.52 ' CD2' HG13 ' A' ' 133' ' ' VAL . 22.2 m-30 -116.82 -40.47 3.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 103' ' ' GLU . 9.7 t80 -158.37 156.18 30.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -152.09 132.92 14.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.545 ' HA2' ' CZ3' ' A' ' 38' ' ' TRP . . . 178.72 157.17 18.79 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.599 ' CD1' ' CE1' ' A' ' 36' ' ' HIS . 5.1 m-85 -70.85 100.8 1.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 0.721 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.687 HD21 HD23 ' A' ' 93' ' ' LEU . 7.6 tp -99.55 157.02 16.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.568 HD22 ' HB3' ' A' ' 34' ' ' TYR . 13.0 mt -108.21 124.85 50.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 mm -113.59 143.73 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HD3' ' CD2' ' A' ' 34' ' ' TYR . 24.0 ttpt -146.95 65.17 1.17 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.765 ' HD3' HD11 ' A' ' 61' ' ' LEU . 7.9 mtm105 -67.45 -156.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 p -90.28 94.28 9.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.71 37.8 0.53 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.562 1.163 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.444 ' O ' ' HB2' ' A' ' 32' ' ' ARG . 8.1 m-85 -122.47 -34.89 3.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 0.762 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 31' ' ' TYR . 2.2 mmm180 69.55 -54.35 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 31' ' ' TYR . 7.0 mt-10 -131.83 125.32 31.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.568 ' HB3' HD22 ' A' ' 25' ' ' LEU . 31.1 m-85 -39.39 133.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 54.9 mt-10 -105.76 128.0 53.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.599 ' CE1' ' CD1' ' A' ' 23' ' ' PHE . 55.3 t-80 -71.85 119.2 15.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.605 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 32.5 m-85 -145.71 139.85 26.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.545 ' CZ3' ' HA2' ' A' ' 22' ' ' GLY . 60.8 t-105 -66.42 88.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.9 m -81.58 120.27 24.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -113.99 129.26 56.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 107' ' ' PHE . 0.2 OUTLIER -91.14 124.25 35.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.77 ' CG ' HD12 ' A' ' 18' ' ' LEU . 7.2 mtt180 -153.51 126.84 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.825 ' N ' HD11 ' A' ' 16' ' ' LEU . . . 34.71 67.03 0.28 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.699 HG22 ' HB ' ' A' ' 111' ' ' VAL . 6.2 p 40.16 58.62 2.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 110.35 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.9 m -157.07 102.61 1.98 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.43 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.3 mt -72.77 107.92 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -99.11 118.82 36.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.675 ' CZ ' HD12 ' A' ' 61' ' ' LEU . 8.1 m-85 -98.59 132.23 44.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 57' ' ' TYR . 61.0 m-85 -129.75 159.51 36.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.1 p -71.04 -35.3 71.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.89 -71.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.8 tttt -171.71 -61.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.366 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.58 -40.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.7 t -40.91 120.71 1.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -81.96 -54.93 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' TYR . 38.4 mm -87.94 93.99 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 37.1 p90 -37.91 136.69 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 48' ' ' PHE . 13.1 p -53.28 -32.77 19.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.07 157.63 1.87 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.437 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 8.0 pttt -136.07 159.16 42.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.765 HD11 ' HD3' ' A' ' 28' ' ' ARG . 2.9 mt -127.99 168.52 15.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.54 130.14 51.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.419 ' O ' HG22 ' A' ' 112' ' ' THR . 1.2 pp -142.97 53.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.8 p -103.94 -32.31 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.31 15.39 23.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.68 ' HA ' HD23 ' A' ' 86' ' ' LEU . 11.3 tp -40.67 134.72 1.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.11 -33.27 20.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 174.13 -171.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.403 HD11 ' CD1' ' A' ' 82' ' ' PHE . 1.3 tt -137.06 126.94 25.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.509 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 24.9 p -102.52 169.26 8.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -128.78 149.19 50.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -94.36 138.24 32.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -42.47 137.41 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.81 -57.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.95 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.2 m 61.77 150.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.38 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 0.8 OUTLIER 64.12 159.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -42.61 131.36 3.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 76' ' ' GLU . 3.8 p30 178.59 168.98 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 60.8 m -46.53 159.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 108.264 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.401 ' O ' ' OG1' ' A' ' 95' ' ' THR . . . -102.86 115.15 30.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -126.12 115.9 20.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.509 ' CB ' ' O ' ' A' ' 70' ' ' THR . 4.2 p90 -145.92 156.64 43.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 91' ' ' VAL . 2.9 m -111.0 138.29 47.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.416 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.734 HD23 HD13 ' A' ' 93' ' ' LEU . 1.2 mm? -85.55 104.34 15.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.1 t -81.65 118.91 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.68 HD23 ' HA ' ' A' ' 66' ' ' LEU . 5.7 mt -121.64 157.76 55.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 2.09 7.02 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -114.48 -57.56 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 8.8 tt0 -154.27 156.47 37.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 7.6 mt-10 -94.92 132.12 40.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.261 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.674 ' O ' HG23 ' A' ' 83' ' ' THR . 55.6 t -115.08 150.01 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -101.4 138.8 37.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.734 HD13 HD23 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -135.33 134.34 39.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -135.62 145.98 47.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 80' ' ' ALA . 2.9 p -122.76 146.03 47.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.412 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -102.66 44.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 176.31 165.02 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.8 p -85.58 -46.9 10.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.55 -57.03 14.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.29 -34.46 33.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.37 -62.81 5.61 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -53.88 -34.57 59.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 110.337 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -58.01 -68.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.265 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.793 ' O ' HD12 ' A' ' 108' ' ' ILE . 98.5 m95 -56.28 -63.25 1.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 107.991 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 104' ' ' TRP . 4.4 ttp180 -38.11 -33.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.61 -69.47 1.38 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.547 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 10.7 m-85 -38.46 -40.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.78 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.793 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.7 mp -66.26 -62.77 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.1 mt -43.46 -26.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.547 HG21 ' O ' ' A' ' 130' ' ' LEU . 62.9 m -79.89 -43.43 22.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.455 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.699 ' HB ' HG22 ' A' ' 44' ' ' THR . 23.2 m -88.83 29.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.513 HG21 HD22 ' A' ' 66' ' ' LEU . 12.3 p -144.76 -44.18 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.393 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 114' ' ' LEU . 7.3 mt-10 -102.88 12.43 36.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.485 ' HA ' HD12 ' A' ' 114' ' ' LEU . 1.6 tp 37.32 34.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.429 ' N ' ' C ' ' A' ' 113' ' ' GLU . 0.6 OUTLIER -141.3 173.95 11.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.639 HG13 ' HB2' ' A' ' 130' ' ' LEU . 45.8 t -116.0 119.56 36.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 139.75 24.55 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.68 -5.88 18.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -92.22 29.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 17.7 m -107.05 139.21 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 122' ' ' LEU . 0.6 OUTLIER -82.61 6.71 16.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.803 HD22 ' CB ' ' A' ' 126' ' ' GLN . 3.0 mt -50.2 -177.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.591 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -110.35 -174.14 0.28 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.682 ' O ' HD12 ' A' ' 128' ' ' ILE . 18.2 Cg_endo -74.99 -19.21 18.1 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.476 1.777 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.2 -34.01 13.39 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.803 ' CB ' HD22 ' A' ' 122' ' ' LEU . 69.1 mm-40 -81.74 -61.7 1.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 0.772 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.479 ' C ' ' O ' ' A' ' 126' ' ' GLN . 24.3 t -34.19 -55.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.682 HD12 ' O ' ' A' ' 124' ' ' PRO . 53.6 mt -40.4 -54.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.475 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 10.5 mmmm -38.55 -55.99 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.639 ' HB2' HG13 ' A' ' 116' ' ' VAL . 3.7 mt -47.47 -47.38 27.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 128' ' ' ILE . 2.0 m-70 -58.71 -57.32 13.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.613 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -57.61 -59.84 4.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.607 HG12 ' OE1' ' A' ' 137' ' ' GLU . 55.9 t -43.56 -47.19 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.403 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.1 tp -52.12 -72.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.77 -34.31 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.469 ' HD2' ' CG ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -60.93 -66.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.607 ' OE1' HG12 ' A' ' 133' ' ' VAL . 1.2 pt-20 -59.95 -26.25 65.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.449 ' N ' ' HG2' ' A' ' 137' ' ' GLU . 18.0 mttm -52.14 -63.2 1.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 142' ' ' ILE . 30.3 mmtt -44.95 -50.66 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 144' ' ' SER . 4.4 mtp85 -42.99 -29.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 142' ' ' ILE . 3.3 mmp_? -64.29 -42.11 96.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 139' ' ' LYS . 34.0 mt -39.68 -76.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -95.32 68.68 3.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 140' ' ' ARG . 2.4 t -179.53 138.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.994 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 115.73 158.09 11.52 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -173.94 1.75 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.512 1.796 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 15.9 p -73.4 142.63 46.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.01 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.61 170.47 1.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.13 . . . . 0.0 111.016 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t -178.63 146.37 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 109.982 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.7 p -178.52 96.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.16 139.78 2.76 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.448 1.092 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -160.18 137.55 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.959 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.5 p -102.98 113.13 26.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.987 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.91 -138.16 2.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -128.99 86.27 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -93.29 108.41 20.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.71 104.5 15.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 110.271 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.5 172.78 13.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.14 161.35 15.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.2 tt -41.85 145.69 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.1 m 43.22 83.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.362 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.92 116.49 29.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.703 HD23 ' HA3' ' A' ' 43' ' ' GLY . 0.6 OUTLIER -60.5 143.53 89.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.256 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 112.54 3.58 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.523 1.801 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.794 HD21 ' CD ' ' A' ' 21' ' ' GLU . 9.2 tp -62.33 137.46 58.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.597 ' CG ' HG13 ' A' ' 133' ' ' VAL . 22.3 m-85 -116.82 -38.22 3.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 103' ' ' GLU . 7.3 t80 -158.44 151.77 23.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.794 ' CD ' HD21 ' A' ' 18' ' ' LEU . 12.2 pm0 -150.02 138.49 20.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.97 132.21 1.58 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 111.027 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -41.87 98.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.855 HD11 HG22 ' A' ' 95' ' ' THR . 8.9 tp -101.28 157.99 16.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.683 HD21 ' CE1' ' A' ' 36' ' ' HIS . 11.8 mt -113.21 129.68 56.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 34' ' ' TYR . 12.9 mm -118.06 137.5 51.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.594 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 18.3 ttpt -111.84 -13.1 13.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.422 ' HA ' HG13 ' A' ' 91' ' ' VAL . 1.1 mtt180 40.35 -91.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -175.89 78.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.995 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.61 -31.46 0.93 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.496 ' CE1' ' CG ' ' A' ' 35' ' ' GLU . 8.5 m-85 -55.43 -54.88 38.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.776 . . . . 0.0 111.031 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.48 -52.65 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.479 ' O ' ' HB2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -97.96 9.08 43.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.35 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.594 ' CE1' ' HB2' ' A' ' 27' ' ' LYS . 17.2 m-85 58.37 150.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.569 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 11.8 mm-40 -113.88 126.63 55.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.683 ' CE1' HD21 ' A' ' 25' ' ' LEU . 77.1 m80 -70.03 130.16 41.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 17.0 m-85 -158.47 133.16 8.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.422 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 43.7 t-105 -61.6 86.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.529 HG23 ' CD1' ' A' ' 48' ' ' PHE . 90.2 m -82.6 137.34 34.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.573 ' HB2' HD11 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -139.44 140.54 37.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.579 HD22 ' HD2' ' A' ' 19' ' ' TYR . 0.9 OUTLIER -90.39 119.04 30.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.54 ' O ' ' C ' ' A' ' 43' ' ' GLY . 20.3 mtt180 -135.42 126.26 27.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.703 ' HA3' HD23 ' A' ' 16' ' ' LEU . . . 25.07 81.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.928 HG22 ' HB ' ' A' ' 111' ' ' VAL . 71.0 p 32.92 60.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.788 . . . . 0.0 110.398 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.865 HG22 ' CE2' ' A' ' 47' ' ' PHE . 1.4 m -167.61 106.18 0.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.1 mt -74.56 127.09 32.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.865 ' CE2' HG22 ' A' ' 45' ' ' THR . 46.8 m-85 -115.77 118.01 31.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.782 ' O ' HG12 ' A' ' 58' ' ' VAL . 10.9 m-85 -95.77 115.96 28.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.548 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 64.6 m-85 -110.73 167.28 10.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.4 p -81.54 -23.36 37.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.413 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 38' ' ' TRP . 8.6 m-20 -176.81 -81.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -161.84 -59.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -41.44 -33.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.8 t -46.75 126.57 8.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.7 mt -79.56 -45.0 23.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.571 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.2 pp -113.77 127.92 70.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.548 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 35.0 p90 -55.55 136.86 49.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.782 HG12 ' O ' ' A' ' 48' ' ' PHE . 12.4 p -54.47 -31.41 23.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -176.33 158.28 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -137.17 164.76 27.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.457 ' CD1' HG11 ' A' ' 91' ' ' VAL . 6.6 mt -139.01 150.69 46.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.03 134.52 50.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.3 pt -129.44 15.69 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.6 -34.36 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.2 14.15 21.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.571 ' HA ' HD23 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -42.23 131.83 3.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -85.84 -30.98 22.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.437 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 168.98 -178.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 108.31 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.81 132.31 51.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.9 p -107.78 170.94 7.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.438 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -129.03 153.22 47.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -116.52 113.33 22.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.83 158.08 6.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -163.58 165.09 23.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.8 m -122.54 -59.51 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -76.29 111.94 12.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.15 109.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -89.36 106.48 18.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 67.0 m -116.39 164.75 14.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.29 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.15 113.71 12.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -136.72 122.26 19.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -149.86 156.46 41.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 m -112.25 139.96 47.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 84' ' ' LEU . 1.2 mm? -86.37 115.11 23.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.8 t -92.97 118.63 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 89' ' ' GLU . 5.8 mt -123.89 157.73 62.31 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 1.67 7.5 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.963 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.27 -59.04 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.586 ' O ' HD12 ' A' ' 86' ' ' LEU . 10.1 tt0 -154.92 150.43 27.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -95.23 131.26 41.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.457 HG11 ' CD1' ' A' ' 61' ' ' LEU . 92.7 t -116.55 143.83 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -94.88 149.54 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.576 HD23 HD21 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -136.89 138.47 40.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -147.05 133.5 19.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.855 HG22 HD11 ' A' ' 24' ' ' LEU . 17.6 p -109.85 -177.24 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.42 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.05 -62.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -85.88 122.05 29.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.6 m -39.3 -48.5 1.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.414 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -53.04 -54.62 32.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.65 -35.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.74 -57.16 20.87 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -50.6 -32.57 19.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.622 ' OE1' ' CD2' ' A' ' 107' ' ' PHE . 0.5 OUTLIER -63.37 -67.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.87 ' O ' HD12 ' A' ' 108' ' ' ILE . 91.9 m95 -53.26 -61.96 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 104' ' ' TRP . 8.0 ttt180 -37.04 -51.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.9 -69.67 1.25 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.69 ' CE1' HG21 ' A' ' 133' ' ' VAL . 1.8 m-85 -39.36 -44.49 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.87 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.9 mp -68.06 -59.91 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.456 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 22.8 mt -46.19 -21.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.938 HG23 ' O ' ' A' ' 115' ' ' SER . 94.7 m -83.75 -58.77 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 110.415 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.928 ' HB ' HG22 ' A' ' 44' ' ' THR . 12.7 m -62.72 -11.33 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 108' ' ' ILE . 32.8 p -99.27 -59.98 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -69.58 -22.95 63.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 110.343 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 110' ' ' THR . 0.2 OUTLIER 78.29 15.34 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.938 ' O ' HG23 ' A' ' 110' ' ' THR . 0.1 OUTLIER -138.33 -158.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 97.2 t -127.53 122.64 22.79 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 135.79 19.53 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.525 1.802 . . . . 0.0 110.954 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.71 -8.77 42.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.35 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -89.62 52.98 2.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 19.1 m -127.49 135.15 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.23 -3.93 56.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.002 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.505 ' HA ' HD12 ' A' ' 122' ' ' LEU . 1.6 tp -47.35 160.62 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.616 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.2 mm? -64.9 169.56 5.26 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.616 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.03 -8.31 19.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.737 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -96.65 -34.45 5.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -73.31 -43.45 60.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.06 -33.44 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.737 HD12 ' HA2' ' A' ' 125' ' ' GLY . 34.9 mt -54.43 -47.49 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -44.17 -54.68 5.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.445 HD23 ' CD1' ' A' ' 107' ' ' PHE . 50.0 mt -48.68 -41.51 31.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -66.47 -41.3 89.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.596 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -69.45 -53.9 16.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.69 HG21 ' CE1' ' A' ' 107' ' ' PHE . 62.8 t -51.81 -42.0 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.566 HD12 ' HG3' ' A' ' 138' ' ' LYS . 5.6 tp -55.92 -65.75 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -50.31 -32.06 16.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.57 -61.82 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 1.1 pt-20 -64.24 -25.3 68.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.566 ' HG3' HD12 ' A' ' 134' ' ' LEU . 11.6 mttm -51.13 -56.99 9.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 142' ' ' ILE . 61.7 mmtt -44.48 -52.43 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.76 -42.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.42 ' NE ' HD11 ' A' ' 114' ' ' LEU . 3.3 mtm180 -48.89 -46.78 43.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 139' ' ' LYS . 6.5 mt -45.94 -82.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -43.48 -64.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.18 155.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -142.87 -152.52 5.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.778 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 25.7 p 179.37 -56.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.959 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 96.7 p -67.49 111.8 4.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 m -111.89 164.02 13.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -132.01 159.85 37.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.21 127.51 1.64 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.453 1.095 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -137.2 156.7 48.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 0.813 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 t -139.18 136.33 34.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.021 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.6 -103.49 2.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.43 1.081 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -91.82 133.9 35.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 110.285 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -57.76 -59.58 5.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 50.62 91.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.8 mt -85.7 122.65 30.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.246 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -121.07 139.56 53.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mp -126.33 134.92 65.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.253 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.1 m -145.92 -54.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.376 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.92 -179.41 4.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.505 ' CB ' ' HB3' ' A' ' 42' ' ' ARG . 4.1 mm? -65.01 161.39 48.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.472 ' O ' ' O ' ' A' ' 18' ' ' LEU . 18.3 Cg_endo -74.99 -15.51 20.72 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.776 HD23 ' H ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER 55.7 159.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.777 ' CD2' HG13 ' A' ' 133' ' ' VAL . 23.1 m-85 -144.58 -41.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.601 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 7.7 t80 -142.65 164.66 29.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.586 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 0.1 OUTLIER -161.02 109.9 1.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.43 144.32 9.41 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.413 ' CE1' ' HB2' ' A' ' 38' ' ' TRP . 8.1 m-85 -51.19 111.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.893 HD21 HD23 ' A' ' 93' ' ' LEU . 20.7 tp -112.92 152.08 29.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.851 HD22 ' HB3' ' A' ' 34' ' ' TYR . 14.8 mt -99.38 121.51 41.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.4 mm -108.93 123.79 65.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -122.99 116.04 22.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -132.4 178.19 7.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.38 83.62 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.995 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.7 45.86 0.08 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.445 1.09 . . . . 0.0 110.965 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.465 ' O ' ' CB ' ' A' ' 32' ' ' ARG . 2.8 m-85 -134.57 -44.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 82.18 -49.87 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -136.58 150.84 48.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.851 ' HB3' HD22 ' A' ' 25' ' ' LEU . 77.6 m-85 -62.88 123.23 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.653 ' C ' HD23 ' A' ' 25' ' ' LEU . 48.9 mt-10 -100.6 130.07 46.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.412 ' CE1' HD21 ' A' ' 25' ' ' LEU . 51.0 m80 -77.19 117.53 18.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.605 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.477 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 29.1 m-85 -137.16 138.45 40.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.586 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 75.6 t-105 -64.06 94.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.021 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.609 HG23 ' CD1' ' A' ' 48' ' ' PHE . 74.5 m -92.96 146.87 23.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.48 ' HG2' ' CB ' ' A' ' 21' ' ' GLU . 41.7 mt-10 -138.42 133.23 32.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.547 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.9 OUTLIER -90.82 116.36 28.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.577 ' HD2' ' CD1' ' A' ' 47' ' ' PHE . 84.3 mtt180 -123.73 130.12 52.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' ARG . . . 36.03 -94.49 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.558 1.161 . . . . 0.0 111.056 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 42' ' ' ARG . 3.2 p -134.03 11.01 3.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.444 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.546 HG22 ' CE1' ' A' ' 47' ' ' PHE . 8.0 m -116.46 125.7 52.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.347 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.5 mt -86.65 125.01 33.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.577 ' CD1' ' HD2' ' A' ' 42' ' ' ARG . 73.7 m-85 -115.92 129.46 56.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.609 ' CD1' HG23 ' A' ' 39' ' ' THR . 12.2 m-85 -110.64 144.3 39.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.502 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 88.9 m-85 -137.25 165.19 26.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.9 p -73.57 -47.95 36.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.403 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.456 ' O ' ' CG ' ' A' ' 38' ' ' TRP . 2.5 m-20 -144.99 -65.53 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -176.53 -54.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -43.38 -36.23 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.2 t -50.2 121.94 6.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -85.25 -54.32 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' TYR . 4.1 mp -86.51 98.61 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.502 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 51.1 p90 -37.57 133.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.1 p -55.68 -38.46 50.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -165.42 155.11 12.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.484 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 9.9 pttt -134.12 166.93 21.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.555 HD12 ' CZ ' ' A' ' 48' ' ' PHE . 6.9 mt -139.3 170.04 16.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.87 ' OD1' HG12 ' A' ' 64' ' ' VAL . 6.7 t0 -133.21 128.36 35.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.667 HG22 HD21 ' A' ' 86' ' ' LEU . 20.6 pt -133.38 28.07 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.87 HG12 ' OD1' ' A' ' 62' ' ' ASP . 14.3 p -72.91 -32.33 39.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.495 ' OD1' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -99.32 19.07 16.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.237 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.487 HD13 HD12 ' A' ' 84' ' ' LEU . 1.2 tp -44.05 130.72 6.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -85.61 -33.36 21.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 172.66 -179.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 108.282 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.541 HD12 HD13 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -130.87 128.28 40.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.458 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 32.0 p -105.29 174.16 6.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -129.77 115.38 17.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -70.31 129.29 38.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -44.21 148.02 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 59.6 p -164.26 115.94 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 m -72.24 139.63 48.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.37 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 59.15 162.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -49.84 104.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.3 159.1 28.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 26.4 p -50.59 164.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 108.249 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.463 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -77.05 115.1 16.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -120.54 119.02 31.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.531 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 2.9 p90 -143.44 155.8 44.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 m -112.1 134.38 53.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.595 HD23 HD13 ' A' ' 93' ' ' LEU . 1.6 mm? -80.69 108.96 14.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 44.2 t -86.97 111.15 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.945 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.2 mt -116.04 156.38 46.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.72 8.57 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.791 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -114.44 -58.08 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.945 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.2 tt0 -157.69 148.31 20.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.233 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -89.36 158.11 17.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.1 t -142.3 145.91 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -102.31 132.33 48.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.893 HD23 HD21 ' A' ' 24' ' ' LEU . 3.1 mp -119.47 161.2 20.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -154.27 155.86 35.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.465 HG22 ' CD1' ' A' ' 24' ' ' LEU . 2.6 p -133.37 173.1 11.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -83.56 -75.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.77 178.33 6.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 53.3 m -76.88 -47.68 20.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.393 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -44.81 -61.35 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 95.0 p -41.14 -46.85 3.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.995 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.463 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -46.36 -62.14 3.72 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -56.61 -33.02 65.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.601 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 2.1 mt-10 -60.05 -63.07 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.282 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.843 ' O ' HD12 ' A' ' 108' ' ' ILE . 68.7 m95 -57.02 -67.21 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 107.975 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.531 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -37.1 -68.73 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -43.77 -46.66 7.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.677 ' CE1' HG21 ' A' ' 133' ' ' VAL . 0.5 OUTLIER -65.61 -41.38 92.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 110.976 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.843 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.5 mp -65.91 -58.96 4.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 36.8 mt -46.17 -25.59 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.652 HG21 ' O ' ' A' ' 130' ' ' LEU . 82.9 m -80.77 -40.72 24.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.689 HG22 ' HA ' ' A' ' 108' ' ' ILE . 35.5 m -91.65 28.68 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.3 p -143.73 -45.71 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -86.51 -15.54 39.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.742 HD21 ' NE ' ' A' ' 141' ' ' ARG . 1.4 mm? 70.67 24.93 4.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.551 ' O ' HG23 ' A' ' 110' ' ' THR . 1.6 t -144.35 -160.44 1.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.444 HG13 ' HB2' ' A' ' 130' ' ' LEU . 61.7 t -133.94 122.74 16.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 145.72 31.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -106.36 -5.4 19.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -90.74 40.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.406 HG21 HG22 ' A' ' 127' ' ' VAL . 19.9 m -115.08 131.01 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.43 -10.85 59.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.483 ' HA ' HD12 ' A' ' 122' ' ' LEU . 1.5 tp -42.92 161.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.614 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.1 mm? -66.52 169.57 7.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.614 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.0 -7.67 19.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.735 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -96.75 -34.81 5.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 129' ' ' LYS . 2.3 mm100 -73.19 -45.41 56.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 110.342 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.406 HG22 HG21 ' A' ' 120' ' ' VAL . 2.1 t -46.1 -34.14 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.735 HD12 ' HA2' ' A' ' 125' ' ' GLY . 23.3 mt -56.53 -43.4 78.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 126' ' ' GLN . 5.7 mmmm -46.49 -51.77 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.652 ' O ' HG21 ' A' ' 110' ' ' THR . 14.3 mt -51.42 -42.31 61.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.416 ' HA ' HG21 ' A' ' 116' ' ' VAL . 1.2 m-70 -63.83 -48.49 76.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.635 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -64.8 -60.94 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.777 HG13 ' CD2' ' A' ' 19' ' ' TYR . 67.6 t -42.85 -40.73 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.475 ' O ' ' CG ' ' A' ' 137' ' ' GLU . 4.0 tp -56.03 -67.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.435 ' HA ' ' HB2' ' A' ' 138' ' ' LYS . 1.8 pt-20 -44.35 -41.18 5.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 1.0 OUTLIER -54.26 -52.66 60.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 134' ' ' LEU . 4.5 pt-20 -69.99 -31.54 69.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 25.8 mttm -51.21 -41.65 60.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 142' ' ' ILE . 0.0 OUTLIER -59.39 -62.4 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 -42.97 -42.59 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.742 ' NE ' HD21 ' A' ' 114' ' ' LEU . 11.3 mmt180 -53.24 -40.76 64.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 139' ' ' LYS . 34.9 mt -42.38 -78.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -38.89 -61.08 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.0 t 67.46 170.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.035 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -170.17 -170.05 34.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.12 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.12 6.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.438 1.757 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.9 t -141.73 -57.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 20.2 m 63.44 154.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.038 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.898 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.844 HD11 ' OE1' ' A' ' 40' ' ' GLU . 15.3 tp -75.69 142.23 42.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.556 ' CD2' HG13 ' A' ' 133' ' ' VAL . 22.7 m-30 -122.98 -46.64 2.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.514 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 7.0 t80 -146.0 163.75 34.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 1.4 pt-20 -157.28 140.26 15.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.77 146.77 4.98 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -55.85 108.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.787 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.858 HD21 ' CD2' ' A' ' 93' ' ' LEU . 27.7 tp -109.39 150.01 28.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.61 HD23 ' O ' ' A' ' 35' ' ' GLU . 10.1 mt -105.52 125.73 51.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.444 ' HB ' ' CG ' ' A' ' 35' ' ' GLU . 23.6 mm -103.82 145.49 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.606 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 8.1 tttt . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.606 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 24.1 m-85 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.511 0.196 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.61 ' O ' HD23 ' A' ' 25' ' ' LEU . 1.4 pt-20 -89.72 149.68 22.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.542 ' O ' ' CG ' ' A' ' 37' ' ' TYR . 31.1 t-80 -103.82 134.07 47.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.622 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.561 ' CE1' HG11 ' A' ' 58' ' ' VAL . 40.9 m-85 -168.24 145.76 4.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 72.0 t-105 -72.33 92.54 1.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.465 HG23 ' CD1' ' A' ' 48' ' ' PHE . 94.7 m -81.68 139.63 34.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.844 ' OE1' HD11 ' A' ' 18' ' ' LEU . 13.3 mm-40 -127.52 130.37 49.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.479 HD21 HG21 ' A' ' 111' ' ' VAL . 0.5 OUTLIER -90.82 116.51 28.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -137.73 127.09 24.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.54 -93.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 p -146.82 19.16 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 110.352 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 61' ' ' LEU . 2.8 m -124.95 125.19 43.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.422 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.6 mt -82.2 123.46 29.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -110.4 120.01 41.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 61' ' ' LEU . 8.6 m-85 -98.9 129.97 45.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.519 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 64.7 m-85 -123.54 177.12 5.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.6 p -110.69 -30.33 7.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.411 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -161.07 155.61 23.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -34.35 69.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -47.84 84.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 m -49.89 133.38 22.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.3 mp -99.53 -38.72 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.5 mm -95.98 114.69 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.519 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 42.0 p90 -57.72 128.94 39.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.561 HG11 ' CE1' ' A' ' 37' ' ' TYR . 15.0 p -50.78 -34.49 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.37 157.73 11.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -136.5 159.42 41.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 45' ' ' THR . 1.4 mt -120.54 -161.91 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -161.31 128.81 4.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.439 HD12 ' CG2' ' A' ' 112' ' ' THR . 1.2 pp -138.94 40.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.361 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.3 p -86.12 -33.24 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.14 17.37 17.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.409 HD13 HD12 ' A' ' 84' ' ' LEU . 1.5 tp -42.14 133.23 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.93 -27.97 19.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.377 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 167.94 -179.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 108.277 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tt -132.44 128.53 37.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.9 p -105.79 163.01 13.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.366 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 9.0 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.575 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -100.29 117.88 35.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -130.52 113.52 14.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.447 ' CD2' ' HG3' ' A' ' 105' ' ' ARG . 3.7 p90 -135.35 155.67 50.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.3 m -109.99 134.97 51.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.356 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.552 ' CD2' HD13 ' A' ' 93' ' ' LEU . 1.7 mm? -84.35 105.77 15.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.1 t -83.98 119.68 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.88 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.5 mt -121.83 157.88 56.09 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.04 8.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -114.92 -58.43 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.88 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.1 tt0 -157.39 151.37 24.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.53 153.38 20.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.3 t -140.37 144.79 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -92.46 147.27 23.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.858 ' CD2' HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -139.19 150.22 45.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -154.52 157.56 38.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.617 HG21 ' HA2' ' A' ' 101' ' ' GLY . 67.6 p -122.41 -161.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -95.57 -41.28 9.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -144.36 171.31 14.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.85 -36.67 70.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.432 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -52.9 -69.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.5 m -44.56 -50.6 9.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.617 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -44.78 -69.79 0.69 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.426 ' HB3' HD13 ' A' ' 122' ' ' LEU . 0.5 OUTLIER -44.48 -34.58 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 110.266 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.514 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 1.9 mt-10 -64.26 -61.51 2.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.838 ' O ' HD12 ' A' ' 108' ' ' ILE . 85.2 m95 -55.16 -64.2 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.009 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.447 ' HG3' ' CD2' ' A' ' 82' ' ' PHE . 4.1 ttp180 -37.96 -57.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -58.03 -56.24 26.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.599 ' CE1' HG21 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -51.11 -42.28 60.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 0.791 . . . . 0.0 111.026 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.838 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.4 mp -65.54 -58.2 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 35.5 mt -46.17 -25.72 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.567 HG21 ' O ' ' A' ' 130' ' ' LEU . 82.0 m -81.17 -40.3 24.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.376 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.737 HG22 ' HA ' ' A' ' 108' ' ' ILE . 33.1 m -91.75 29.62 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.439 ' CG2' HD12 ' A' ' 63' ' ' ILE . 19.5 p -143.47 -48.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.441 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.17 -9.1 58.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 64.49 23.56 12.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.519 ' O ' HG23 ' A' ' 110' ' ' THR . 0.1 OUTLIER -141.9 -156.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.001 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 97.1 t -135.53 127.97 17.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 127.52 10.75 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.474 1.776 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -99.64 3.95 45.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -109.85 57.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.42 HG12 ' OE2' ' A' ' 102' ' ' GLU . 0.9 OUTLIER -123.74 -173.84 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.5 -0.18 8.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.471 ' HA ' HD12 ' A' ' 122' ' ' LEU . 0.3 OUTLIER -56.19 -176.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.561 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -110.12 -176.58 0.4 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.561 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.1 Cg_endo -75.06 -20.05 17.13 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.418 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -86.19 -19.91 56.23 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.454 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 6.6 mm100 -95.22 -42.2 8.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.7 t -52.81 -46.33 51.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.418 HD12 ' HA2' ' A' ' 125' ' ' GLY . 48.4 mt -40.31 -50.78 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -47.01 -54.02 11.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.567 ' O ' HG21 ' A' ' 110' ' ' THR . 43.1 mt -50.35 -44.45 54.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -63.43 -51.9 63.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.624 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.57 -57.13 14.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.599 HG21 ' CE1' ' A' ' 107' ' ' PHE . 55.3 t -47.02 -43.31 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.463 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.7 tp -57.65 -69.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -45.22 -31.87 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.346 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.72 -51.34 65.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -72.31 -26.04 61.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.316 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.463 ' HG3' HD12 ' A' ' 134' ' ' LEU . 23.8 mttt -52.43 -54.61 29.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.23 -44.43 22.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.288 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 111.007 -0.421 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.718 HD13 ' C ' ' A' ' 18' ' ' LEU . 1.4 tm? -59.52 135.12 57.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.558 ' CD2' HG13 ' A' ' 133' ' ' VAL . 23.1 m-30 -115.18 -24.34 8.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -176.79 144.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 110.986 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.98 123.3 9.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.24 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.67 136.45 3.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -44.11 99.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.797 HD21 HD23 ' A' ' 93' ' ' LEU . 21.2 tp -106.68 148.31 28.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.772 HD22 ' HB3' ' A' ' 34' ' ' TYR . 11.2 mt -96.48 127.08 42.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.4 mm -114.45 134.85 56.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.772 ' HB3' HD22 ' A' ' 25' ' ' LEU . 48.6 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.503 0.192 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.633 ' C ' HD23 ' A' ' 25' ' ' LEU . 61.9 mm-40 -102.66 138.17 39.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.741 ' CD2' HD21 ' A' ' 25' ' ' LEU . 40.5 m80 -88.37 99.14 12.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.611 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 31.3 m-85 -121.79 138.81 54.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -65.81 87.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 80.4 m -82.61 137.52 34.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.391 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -128.99 130.76 47.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.437 HD22 ' HD2' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -90.91 117.16 29.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -140.64 128.56 21.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.32 -95.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 p -150.16 20.21 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 0.739 . . . . 0.0 110.408 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 61' ' ' LEU . 3.3 m -124.38 119.68 29.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.42 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.9 mt -73.52 113.52 10.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.365 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' A' ' 45' ' ' THR . 83.5 m-85 -101.58 122.28 43.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -102.33 142.49 33.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.544 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 73.4 m-85 -138.91 159.04 43.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.8 p -86.86 -31.51 20.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.391 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -164.5 170.12 16.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -62.96 -45.05 94.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -51.0 -51.08 56.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.8 m -44.34 124.78 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.5 mm -88.55 -50.09 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mp -82.75 140.51 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.544 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 55.1 p90 -78.49 126.48 30.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.05 -43.14 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.343 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.07 156.94 33.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -138.93 162.48 34.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.758 ' O ' HG23 ' A' ' 45' ' ' THR . 10.8 mt -140.58 176.22 8.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.991 ' OD1' HG12 ' A' ' 64' ' ' VAL . 13.5 t70 -141.11 126.85 19.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.606 HG22 HD21 ' A' ' 86' ' ' LEU . 39.7 pt -126.91 30.28 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.991 HG12 ' OD1' ' A' ' 62' ' ' ASP . 13.4 p -73.04 -32.09 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -94.79 18.51 11.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.625 HD13 HD12 ' A' ' 84' ' ' LEU . 5.3 tp -40.2 133.05 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.441 ' O ' ' CB ' ' A' ' 68' ' ' CYS . 1.2 m -91.2 -28.05 18.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.413 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 67' ' ' THR . 0.8 OUTLIER 164.44 -179.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 108.294 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.663 HD11 ' CD1' ' A' ' 82' ' ' PHE . 1.6 tt -145.05 136.03 24.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.424 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 15.3 t -131.71 -161.89 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.37 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.463 ' HA ' ' CA ' ' A' ' 98' ' ' THR . 31.2 p . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.752 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -92.26 126.94 37.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -133.07 115.17 14.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.663 ' CD1' HD11 ' A' ' 69' ' ' LEU . 5.9 p90 -139.45 157.17 46.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.0 m -114.28 120.63 41.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.433 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.625 HD12 HD13 ' A' ' 66' ' ' LEU . 3.1 mm? -72.01 105.2 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.2 t -79.64 118.1 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.922 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.3 mt -121.13 157.62 54.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.72 8.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -114.83 -58.81 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.922 ' O ' HD12 ' A' ' 86' ' ' LEU . 8.3 tt0 -156.68 149.06 23.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -87.24 145.02 26.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.4 t -125.27 141.39 45.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -101.92 136.52 41.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.797 HD23 HD21 ' A' ' 24' ' ' LEU . 6.0 mp -126.29 151.98 46.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -148.46 142.64 26.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.768 HG21 ' HA2' ' A' ' 101' ' ' GLY . 33.1 p -118.86 165.23 14.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.63 -50.48 20.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 110.266 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -123.65 136.28 54.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.463 ' CA ' ' HA ' ' A' ' 79' ' ' CYS . 8.5 t -38.49 -45.7 1.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -45.71 -66.44 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.1 t -40.82 -48.22 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.768 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -45.18 -59.32 4.62 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.41 -41.34 19.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.09 -65.83 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.896 ' O ' HD12 ' A' ' 108' ' ' ILE . 68.7 m95 -51.15 -65.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 108.045 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 104' ' ' TRP . 9.4 ttp180 -37.29 -66.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -48.21 -50.38 22.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.52 ' CE1' HG21 ' A' ' 133' ' ' VAL . 1.1 m-85 -57.47 -41.15 80.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.896 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.4 mp -64.89 -60.02 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.6 mt -45.44 -26.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.524 HG21 ' O ' ' A' ' 130' ' ' LEU . 99.0 m -79.84 -40.69 27.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.704 HG22 ' HA ' ' A' ' 108' ' ' ILE . 34.2 m -91.66 29.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 24.9 p -147.92 -45.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.409 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.36 -12.11 50.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 110.329 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 64.45 26.27 13.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.261 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 110' ' ' THR . 0.2 OUTLIER -144.49 -162.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.979 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 60.8 t -132.47 122.9 18.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.52 5.3 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.801 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -90.85 30.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -134.47 51.14 2.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.2 m -121.58 138.06 53.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -69.89 -9.83 56.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.444 ' HA ' HD12 ' A' ' 122' ' ' LEU . 0.4 OUTLIER -50.95 -179.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.752 ' O ' HG23 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -109.05 -175.73 0.36 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.579 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -75.02 -19.95 17.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.49 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -83.38 -22.85 55.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.413 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 6.9 mm100 -94.68 -43.48 8.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 123' ' ' LEU . 54.0 t -52.31 -43.9 41.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.49 HD12 ' HA2' ' A' ' 125' ' ' GLY . 30.0 mt -41.56 -50.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -44.54 -55.35 5.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.524 ' O ' HG21 ' A' ' 110' ' ' THR . 19.6 mt -48.23 -46.42 35.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -61.94 -46.3 89.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.598 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -64.15 -59.61 4.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.558 HG13 ' CD2' ' A' ' 19' ' ' TYR . 56.1 t -44.89 -44.22 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.521 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.6 tp -55.51 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -47.33 -35.08 7.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.35 -51.98 66.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 2.0 pt-20 -71.73 -26.26 62.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.521 ' HG3' HD12 ' A' ' 134' ' ' LEU . 19.0 mttm -52.58 -55.17 24.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.7 -50.36 13.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 110.96 -0.438 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.714 HD13 ' C ' ' A' ' 18' ' ' LEU . 1.4 tm? -56.49 135.87 54.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.528 ' N ' HD13 ' A' ' 18' ' ' LEU . 21.7 m-30 -114.07 -26.13 8.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -176.09 144.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.403 ' OE2' HD11 ' A' ' 18' ' ' LEU . 1.2 pm0 -143.52 140.13 30.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.97 125.31 0.85 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.423 ' CG ' ' NE2' ' A' ' 36' ' ' HIS . 7.4 m-85 -37.53 98.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 0.791 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.617 ' CD1' HG22 ' A' ' 95' ' ' THR . 20.3 tp -100.99 150.05 23.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.894 HD23 ' O ' ' A' ' 35' ' ' GLU . 5.9 mt -101.95 124.98 48.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.524 HG13 ' CE1' ' A' ' 48' ' ' PHE . 11.4 mm -112.88 137.33 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.524 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.563 ' HB3' HD22 ' A' ' 25' ' ' LEU . 50.6 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.493 0.187 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.894 ' O ' HD23 ' A' ' 25' ' ' LEU . 49.9 mm-40 -103.6 149.84 24.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.423 ' NE2' ' CG ' ' A' ' 23' ' ' PHE . 50.0 t-80 -97.02 103.55 15.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.578 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.501 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 48.3 m-85 -130.34 148.08 52.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' TYR . 74.4 t-105 -72.83 90.84 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.583 HG23 ' CD1' ' A' ' 48' ' ' PHE . 46.0 m -85.04 137.11 33.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.391 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -133.6 133.61 42.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.441 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.8 OUTLIER -90.88 116.37 28.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -134.89 127.02 29.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.09 -103.92 0.29 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 p -138.7 14.97 2.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 110.37 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.78 HG23 ' O ' ' A' ' 61' ' ' LEU . 1.5 m -123.99 125.2 44.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.2 mt -76.04 125.71 29.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.421 ' CD2' ' O ' ' A' ' 45' ' ' THR . 91.3 m-85 -114.31 120.01 38.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.583 ' CD1' HG23 ' A' ' 39' ' ' THR . 38.4 m-85 -101.17 137.57 39.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.439 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 75.9 m-85 -130.65 166.69 20.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.508 HG23 ' HB ' ' A' ' 58' ' ' VAL . 62.2 p -97.06 -31.63 12.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.443 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -159.44 175.16 13.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -79.94 -21.64 43.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -76.91 -18.89 58.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -75.72 135.77 40.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 110.037 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.4 mm -95.66 -47.12 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.4 mt -88.52 134.39 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.439 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 50.8 p90 -74.12 130.92 40.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.508 ' HB ' HG23 ' A' ' 50' ' ' THR . 12.0 p -53.06 -37.79 27.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -164.38 156.93 16.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -136.35 164.79 27.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.78 ' O ' HG23 ' A' ' 45' ' ' THR . 8.1 mt -136.36 178.62 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.33 133.62 28.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.736 HG22 HD21 ' A' ' 86' ' ' LEU . 5.2 pt -134.46 14.55 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.82 -31.18 50.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.89 11.82 36.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.598 ' HA ' HD23 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -41.52 127.02 3.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -77.21 -43.81 32.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -179.11 -178.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 108.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.7 HD11 ' CD1' ' A' ' 82' ' ' PHE . 2.2 tt -135.86 125.6 25.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.8 p -99.01 -168.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.694 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -124.71 121.07 33.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -134.16 115.48 14.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.7 ' CD1' HD11 ' A' ' 69' ' ' LEU . 8.9 p90 -140.39 153.05 46.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 91' ' ' VAL . 2.6 m -109.21 145.67 35.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.393 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.767 ' CD2' HD13 ' A' ' 93' ' ' LEU . 0.7 OUTLIER -92.27 116.16 28.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 28.9 t -92.58 121.85 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.957 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.3 mt -124.6 157.88 63.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.21 9.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -114.58 -55.99 2.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.957 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.9 tt0 -160.44 149.16 16.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -88.99 154.88 19.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.685 ' O ' HG23 ' A' ' 83' ' ' THR . 41.6 t -135.89 156.86 38.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -102.59 143.06 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.767 HD13 ' CD2' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -133.3 128.38 35.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.418 ' HE2' HD13 ' A' ' 25' ' ' LEU . 6.6 tttt -141.5 142.63 33.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.617 HG22 ' CD1' ' A' ' 24' ' ' LEU . 13.1 p -119.24 -159.23 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -96.33 -67.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -109.05 169.65 8.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.57 -40.49 97.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.372 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -48.4 -61.33 2.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -23.04 34.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.694 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -68.72 -62.96 3.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -53.2 -26.6 18.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.605 ' OE1' ' CD2' ' A' ' 107' ' ' PHE . 1.2 mm-40 -63.38 -69.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.85 ' O ' HD12 ' A' ' 108' ' ' ILE . 93.9 m95 -53.16 -56.74 14.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 108.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.538 ' NH1' ' CD2' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -41.28 -41.8 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.9 -57.09 3.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.565 1.166 . . . . 0.0 110.976 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.605 ' CD2' ' OE1' ' A' ' 103' ' ' GLU . 2.2 m-85 -46.21 -42.69 14.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.85 HD12 ' O ' ' A' ' 104' ' ' TRP . 2.0 mp -67.91 -59.01 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.4 mt -44.69 -26.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.656 HG21 ' O ' ' A' ' 130' ' ' LEU . 94.0 m -78.6 -42.17 29.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.37 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.664 HG22 ' HA ' ' A' ' 108' ' ' ILE . 33.8 m -91.59 30.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.445 ' CG2' HD12 ' A' ' 63' ' ' ILE . 30.2 p -149.26 -45.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.422 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -88.19 -6.99 57.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.5 mm? 57.93 23.83 10.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 110' ' ' THR . 3.6 t -139.18 -169.95 2.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 62.0 t -128.4 120.33 20.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 122.74 7.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.522 1.801 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.33 -11.62 34.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -93.22 64.44 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.1 m -132.48 166.66 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.84 -6.15 40.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.967 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.471 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.2 OUTLIER -55.36 -178.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.557 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -109.43 -176.34 0.39 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.01 -15.15 20.88 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.526 1.803 . . . . 0.0 110.959 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.786 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -91.23 -27.13 19.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.471 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 3.0 mm100 -85.93 -35.24 20.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.9 t -60.49 -33.34 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.786 HD12 ' HA2' ' A' ' 125' ' ' GLY . 37.8 mt -49.16 -49.48 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.432 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 7.2 mmmm -46.62 -56.59 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.656 ' O ' HG21 ' A' ' 110' ' ' THR . 11.3 mt -47.59 -44.79 26.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -63.14 -54.75 32.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.598 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -58.3 -60.37 3.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.467 HG13 ' CG ' ' A' ' 19' ' ' TYR . 61.3 t -43.1 -45.88 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.578 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.3 tp -55.44 -70.85 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -46.65 -32.58 3.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -62.57 -44.5 96.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 4.0 pt-20 -80.14 -28.57 38.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.578 ' HG3' HD12 ' A' ' 134' ' ' LEU . 31.7 mttt -51.18 -41.32 60.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.43 -65.89 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.358 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.827 HD21 ' CD ' ' A' ' 21' ' ' GLU . 8.0 tp -73.28 142.02 47.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.443 ' CG ' HG13 ' A' ' 133' ' ' VAL . 20.7 m-85 -122.63 -52.09 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.6 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 2.9 t80 -144.2 159.48 42.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.827 ' CD ' HD21 ' A' ' 18' ' ' LEU . 5.1 pm0 -162.06 122.18 2.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.49 135.78 3.6 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -38.93 100.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.006 HD21 HD23 ' A' ' 93' ' ' LEU . 21.0 tp -106.98 154.24 21.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.961 HD21 ' CD2' ' A' ' 36' ' ' HIS . 9.2 mt -101.31 127.12 48.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.5 mm -114.88 130.06 69.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 1.1 ttmt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 61.4 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.472 0.177 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.544 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 55.5 mm-40 -102.23 132.85 47.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.961 ' CD2' HD21 ' A' ' 25' ' ' LEU . 32.5 m80 -81.77 107.96 14.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.544 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 24.7 m-85 -132.46 140.66 48.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' TYR . 74.0 t-105 -67.58 90.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 107.977 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 55.4 m -83.32 136.35 34.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -123.92 125.34 44.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 107' ' ' PHE . 0.4 OUTLIER -90.98 116.41 28.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' THR . 25.6 mtt180 -136.88 127.02 26.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.35 -91.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.429 1.081 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.565 ' HB ' HG12 ' A' ' 64' ' ' VAL . 1.4 p -148.5 45.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.4 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 78.0 m -146.16 117.04 7.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.421 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 19.0 mt -78.89 100.05 7.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -87.95 121.56 30.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.441 ' O ' HG12 ' A' ' 58' ' ' VAL . 15.9 m-85 -104.49 131.83 51.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.401 ' O ' ' N ' ' A' ' 38' ' ' TRP . 66.0 m-85 -128.43 159.39 35.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.6 p -74.68 -27.36 60.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.354 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -167.54 -70.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.405 ' C ' ' N ' ' A' ' 54' ' ' SER . 7.7 ttpt -172.2 -61.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.41 -31.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 52' ' ' LYS . 19.6 t -54.1 120.15 6.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -85.05 -55.19 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.0 mt -85.85 97.4 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -37.39 136.94 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 48' ' ' PHE . 8.9 p -58.43 -36.06 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -169.79 153.96 5.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 24.4 pttt -134.32 163.2 30.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.3 mt -146.5 175.48 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.8 149.7 40.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.717 HD12 ' CG2' ' A' ' 112' ' ' THR . 7.2 pt -129.67 17.32 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.565 HG12 ' HB ' ' A' ' 44' ' ' THR . 16.5 m -62.8 -31.9 53.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.19 12.07 37.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.621 HD22 ' HB ' ' A' ' 112' ' ' THR . 0.5 OUTLIER -41.86 129.9 3.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.501 ' HB ' HG12 ' A' ' 85' ' ' VAL . 1.1 m -86.82 -31.3 20.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 167.3 -179.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 108.276 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.54 144.03 51.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 10.5 p -114.28 164.86 13.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 110.266 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 76.6 m . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.441 ' HB3' ' OG1' ' A' ' 95' ' ' THR . . . -112.17 113.75 26.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -136.54 113.51 10.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.494 ' CB ' ' O ' ' A' ' 70' ' ' THR . 5.9 p90 -141.09 157.51 45.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.8 m -117.5 137.91 52.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.562 HD22 ' N ' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -86.38 109.32 18.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.501 HG12 ' HB ' ' A' ' 67' ' ' THR . 56.9 t -85.49 120.72 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 89' ' ' GLU . 2.2 mt -125.5 156.71 70.09 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 0.57 8.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -113.11 -58.07 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.76 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.7 tt0 -156.69 150.07 24.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -89.46 136.13 33.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.6 t -117.75 138.77 47.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -100.85 138.47 37.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 1.006 HD23 HD21 ' A' ' 24' ' ' LEU . 5.4 mp -126.71 160.75 29.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.773 ' NZ ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -152.24 135.18 15.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.675 HG22 ' CD1' ' A' ' 24' ' ' LEU . 69.7 p -119.35 -36.53 3.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 95' ' ' THR . 4.7 mt-10 77.85 -53.91 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -82.55 131.53 35.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 m -59.77 -48.5 81.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -46.97 -68.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.84 -41.8 78.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.048 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.514 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -52.35 -62.76 5.46 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' A' ' 121' ' ' SER . 0.7 OUTLIER -57.25 -31.66 65.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.6 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 3.7 mt-10 -60.45 -68.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.517 ' HE3' HD11 ' A' ' 108' ' ' ILE . 88.1 m95 -48.59 -64.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 108.032 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -39.34 -36.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.91 -56.22 4.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.667 ' CE2' HG21 ' A' ' 133' ' ' VAL . 10.3 m-85 -53.1 -39.4 63.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.784 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.634 ' HA ' HG22 ' A' ' 111' ' ' VAL . 1.5 mp -70.65 -59.89 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 43.4 mt -44.51 -25.98 0.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.522 HG21 ' O ' ' A' ' 130' ' ' LEU . 90.2 m -79.74 -41.73 26.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.376 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.634 HG22 ' HA ' ' A' ' 108' ' ' ILE . 31.0 m -90.65 29.29 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.717 ' CG2' HD12 ' A' ' 63' ' ' ILE . 18.0 p -146.51 -44.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.81 -15.57 44.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 68.7 29.04 5.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.521 ' O ' HG23 ' A' ' 110' ' ' THR . 0.1 OUTLIER -154.54 -160.5 1.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.404 HG23 HD23 ' A' ' 134' ' ' LEU . 86.0 t -128.0 127.09 23.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 130.04 12.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.771 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -93.8 -14.6 26.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -89.31 59.93 5.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 1.4 m -128.84 147.13 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.416 ' N ' ' OE1' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -86.9 -8.64 57.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.064 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -51.86 -179.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.704 ' O ' HG23 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -108.74 -175.95 0.38 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.2 Cg_endo -75.05 -16.0 20.32 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.528 1.804 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.7 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -86.94 -29.17 23.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.425 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 5.7 mm100 -86.63 -40.05 15.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 123' ' ' LEU . 48.1 t -54.4 -39.09 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.7 HD12 ' HA2' ' A' ' 125' ' ' GLY . 28.1 mt -42.86 -48.97 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.663 ' O ' HG23 ' A' ' 133' ' ' VAL . 5.7 mmmm -52.23 -45.56 65.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.522 ' O ' HG21 ' A' ' 110' ' ' THR . 45.5 mt -60.53 -35.01 74.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -75.7 -54.05 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.643 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.42 ' OE2' ' CG2' ' A' ' 128' ' ' ILE . 44.4 mt-10 -59.83 -48.64 80.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.667 HG21 ' CE2' ' A' ' 107' ' ' PHE . 54.3 t -53.6 -41.45 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.566 HD11 ' HE3' ' A' ' 138' ' ' LYS . 3.3 tp -60.02 -67.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -51.08 -23.01 2.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 3.6 mmt180 -71.15 -52.87 16.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.478 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 1.0 OUTLIER -71.3 -27.84 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.566 ' HE3' HD11 ' A' ' 134' ' ' LEU . 30.8 mttt -55.41 -41.82 73.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -65.85 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 9.6 mtp85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 110.978 -0.432 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.727 HD13 ' C ' ' A' ' 18' ' ' LEU . 1.4 tm? -65.17 136.05 56.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.889 ' CG ' HG13 ' A' ' 133' ' ' VAL . 19.4 m-85 -113.21 -26.88 8.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.471 ' HB2' ' CE2' ' A' ' 107' ' ' PHE . 11.3 t80 -177.08 148.6 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 1.4 pt-20 -145.68 129.52 17.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.62 148.9 11.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.425 ' CG ' ' CE1' ' A' ' 36' ' ' HIS . 5.0 m-85 -58.19 99.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.709 HD21 ' CD2' ' A' ' 93' ' ' LEU . 15.2 tp -99.87 149.5 23.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.63 HD23 ' O ' ' A' ' 35' ' ' GLU . 11.0 mt -101.71 121.06 41.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.569 HG13 ' CE1' ' A' ' 48' ' ' PHE . 12.6 mm -110.05 139.31 33.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.562 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 3.8 tttt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.562 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 43.1 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.439 0.161 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.63 ' O ' HD23 ' A' ' 25' ' ' LEU . 63.7 mm-40 -107.95 146.73 32.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 110.325 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.425 ' CE1' ' CG ' ' A' ' 23' ' ' PHE . 6.9 t-80 -94.43 115.97 28.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.561 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 32.5 m-85 -142.88 145.88 33.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.526 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 66.1 t-105 -73.45 85.14 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 107.977 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.6 m -81.71 136.73 35.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.428 1.08 . . . . 0.0 110.381 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.449 ' HG2' ' CB ' ' A' ' 21' ' ' GLU . 46.3 mt-10 -128.35 131.13 48.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.2 OUTLIER -90.7 116.4 28.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.459 ' HB2' ' CD2' ' A' ' 47' ' ' PHE . 8.6 mtt180 -136.57 127.89 28.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.4 -101.15 0.11 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -140.93 13.81 2.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 110.403 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 61' ' ' LEU . 2.8 m -119.32 129.48 54.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.417 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.1 mt -79.86 117.58 20.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.459 ' CD2' ' HB2' ' A' ' 42' ' ' ARG . 76.0 m-85 -103.95 120.46 41.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.569 ' CE1' HG13 ' A' ' 26' ' ' ILE . 75.3 m-85 -103.63 144.0 32.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -133.92 146.43 50.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.766 HG23 ' HB ' ' A' ' 58' ' ' VAL . 2.1 p -73.62 -32.39 64.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.381 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -176.32 164.24 2.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -50.54 -46.57 57.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -44.56 -42.99 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -58.12 133.61 55.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.0 pp -110.02 -35.95 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.69 HG22 ' HD1' ' A' ' 57' ' ' TYR . 46.6 mm -74.18 -106.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.69 ' HD1' HG22 ' A' ' 56' ' ' ILE . 0.2 OUTLIER 179.22 147.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.766 ' HB ' HG23 ' A' ' 50' ' ' THR . 7.8 p -86.06 -34.79 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.59 179.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -161.27 167.58 25.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.545 ' O ' HG23 ' A' ' 45' ' ' THR . 53.0 mt -140.81 178.15 7.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.465 ' CG ' HG12 ' A' ' 64' ' ' VAL . 17.8 t0 -129.98 127.82 40.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.349 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.459 HD12 HG23 ' A' ' 108' ' ' ILE . 5.0 pt -126.86 21.34 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.465 HG12 ' CG ' ' A' ' 62' ' ' ASP . 11.7 p -76.01 -33.27 24.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.14 14.09 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.592 ' HA ' HD23 ' A' ' 86' ' ' LEU . 2.8 tp -41.12 127.74 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -83.87 -28.98 27.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 166.8 -177.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 108.363 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.509 HD12 HD13 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -132.83 130.3 39.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.103 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.6 p -103.3 171.6 7.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.435 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 63.2 m . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.403 ' CB ' ' HA3' ' A' ' 101' ' ' GLY . . . -88.93 115.95 26.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -133.96 118.5 17.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 93' ' ' LEU . 7.8 p90 -147.22 151.39 36.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 91' ' ' VAL . 2.5 m -109.66 143.63 39.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.407 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.586 HD22 ' N ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -90.6 113.14 25.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.5 t -90.96 112.86 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 89' ' ' GLU . 3.8 mt -119.17 156.18 52.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.74 8.55 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.488 1.783 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -113.07 -58.49 2.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.668 ' O ' HD12 ' A' ' 86' ' ' LEU . 8.3 tt0 -155.87 149.69 25.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -92.81 145.06 24.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.587 ' O ' HG23 ' A' ' 83' ' ' THR . 86.8 t -130.12 156.72 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.365 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -108.49 141.93 39.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.345 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.709 ' CD2' HD21 ' A' ' 24' ' ' LEU . 1.3 mp -132.46 139.93 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.46 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -147.14 143.96 28.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.476 HG22 ' CD1' ' A' ' 24' ' ' LEU . 12.4 p -120.27 170.58 9.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -117.45 36.51 4.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -176.75 124.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -45.5 -40.14 8.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -60.59 -61.88 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.5 m -42.94 -43.41 4.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.403 ' HA3' ' CB ' ' A' ' 80' ' ' ALA . . . -51.87 -68.77 1.39 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -54.53 -30.62 54.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 110.306 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.2 -67.38 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.913 ' O ' HD12 ' A' ' 108' ' ' ILE . 72.9 m95 -58.3 -60.84 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -38.93 -52.09 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.62 -53.18 29.47 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.099 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.557 ' CE1' HG21 ' A' ' 133' ' ' VAL . 0.3 OUTLIER -51.23 -41.83 60.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 111.008 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.913 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.9 mp -66.39 -60.23 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.4 mt -45.61 -25.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.507 HG21 ' O ' ' A' ' 130' ' ' LEU . 80.6 m -80.32 -40.56 26.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.628 HG22 ' HA ' ' A' ' 108' ' ' ILE . 28.3 m -92.27 28.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.4 p -146.6 -45.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.74 -16.12 39.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 69.69 25.8 5.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.501 ' O ' HG23 ' A' ' 110' ' ' THR . 1.1 t -144.86 -160.17 1.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 66.9 t -134.35 122.8 16.17 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 124.51 8.69 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -85.85 -11.98 51.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -91.01 64.14 5.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 15.6 m -134.89 139.22 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -4.73 51.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.465 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.6 OUTLIER -52.68 179.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.564 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -106.7 -176.29 0.41 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.564 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.96 -21.52 15.85 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.528 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -84.66 -19.95 59.07 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.465 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 6.2 mm100 -96.05 -41.52 8.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 123' ' ' LEU . 25.3 t -55.03 -41.29 58.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.528 HD12 ' HA2' ' A' ' 125' ' ' GLY . 33.6 mt -44.93 -50.77 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -43.2 -58.84 2.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.538 HD22 ' HA ' ' A' ' 107' ' ' PHE . 16.0 mt -46.27 -44.95 16.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -61.62 -55.29 32.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.581 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -58.99 -60.55 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.17 . . . . 0.0 110.312 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.889 HG13 ' CG ' ' A' ' 19' ' ' TYR . 95.4 t -46.21 -48.58 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.641 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.5 OUTLIER -44.26 -67.91 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -46.34 -52.96 11.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 136' ' ' ARG . 1.1 mpt_? -44.94 -35.57 2.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 138' ' ' LYS . 5.4 tp10 -81.89 -48.74 11.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.52 ' HE3' HD11 ' A' ' 134' ' ' LEU . 51.9 mttt -38.86 -33.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 137' ' ' GLU . 0.0 OUTLIER -67.29 -69.47 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 110.965 -0.437 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.616 HD21 ' OE2' ' A' ' 21' ' ' GLU . 13.6 tp -73.74 150.45 41.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.617 ' CG ' HG13 ' A' ' 133' ' ' VAL . 21.6 m-85 -127.75 -50.32 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.595 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 16.2 t80 -149.06 154.14 38.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.616 ' OE2' HD21 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -147.52 151.24 36.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.65 141.75 3.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -51.93 105.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.746 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.716 HD21 ' CD2' ' A' ' 93' ' ' LEU . 21.9 tp -106.72 160.34 15.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.726 HD23 ' C ' ' A' ' 35' ' ' GLU . 7.0 mt -114.69 121.2 42.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 mm -110.99 129.37 66.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.562 ' HB3' HD22 ' A' ' 25' ' ' LEU . 71.4 m-85 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.488 0.185 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.726 ' C ' HD23 ' A' ' 25' ' ' LEU . 21.7 mm-40 -107.65 140.6 40.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.449 ' CD2' HD21 ' A' ' 25' ' ' LEU . 31.3 m80 -80.98 124.29 29.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.581 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 40.0 m-85 -144.87 135.78 24.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' TYR . 74.9 t-105 -63.69 86.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 107.985 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.468 HG23 ' CD1' ' A' ' 48' ' ' PHE . 65.6 m -81.65 130.67 35.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.405 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -122.41 127.85 50.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.02 118.75 30.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.577 ' HG2' HD12 ' A' ' 18' ' ' LEU . 22.2 mtm180 -140.18 127.45 21.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.18 -96.58 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 p -147.36 22.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 0.789 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.7 m -124.92 121.04 33.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.8 mt -76.79 114.64 15.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -106.39 118.78 37.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.468 ' CD1' HG23 ' A' ' 39' ' ' THR . 8.9 m-85 -103.11 139.37 38.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.521 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 69.5 m-85 -133.83 159.13 41.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.8 p -85.8 -32.25 21.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 110.357 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -166.6 154.03 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -58.48 -23.81 58.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -67.97 -30.06 69.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -73.36 135.31 44.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -90.18 -42.42 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.6 mp -89.37 147.51 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 50.6 p90 -87.1 125.04 33.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.8 p -48.42 -44.43 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.3 156.12 30.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.481 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 7.2 pttt -136.74 160.93 37.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.525 ' CD1' HG11 ' A' ' 91' ' ' VAL . 4.9 mt -130.87 -179.52 5.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -146.52 125.35 12.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.783 HD12 HG23 ' A' ' 108' ' ' ILE . 16.1 pt -125.79 17.51 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.3 p -61.85 -40.57 87.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.26 16.54 11.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.58 HD13 HD12 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -45.44 129.1 8.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.523 ' HB ' HG12 ' A' ' 85' ' ' VAL . 1.0 OUTLIER -82.25 -33.48 29.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.441 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.11 -172.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 108.297 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.681 HD12 HD13 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -138.04 130.04 28.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.475 ' OG1' ' N ' ' A' ' 71' ' ' GLU . 1.9 t -117.69 179.56 4.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.475 ' N ' ' OG1' ' A' ' 70' ' ' THR . 23.2 mt-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.6 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.753 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -88.71 114.32 25.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -122.02 115.2 22.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.613 ' CD1' HD11 ' A' ' 69' ' ' LEU . 10.6 p90 -140.26 155.69 46.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 91' ' ' VAL . 1.5 m -114.55 137.31 52.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.421 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.681 HD13 HD12 ' A' ' 69' ' ' LEU . 1.3 mm? -84.26 110.11 18.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.523 HG12 ' HB ' ' A' ' 67' ' ' THR . 43.1 t -82.61 121.91 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.944 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.1 mt -125.33 156.56 69.87 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.88 8.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -114.36 -57.46 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.944 ' O ' HD12 ' A' ' 86' ' ' LEU . 3.9 tt0 -158.8 149.96 20.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.91 145.72 25.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.525 HG11 ' CD1' ' A' ' 61' ' ' LEU . 74.0 t -126.35 146.54 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -97.04 131.84 43.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.716 ' CD2' HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -125.69 121.67 34.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -125.96 149.71 48.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.668 HG21 ' HA2' ' A' ' 101' ' ' GLY . 48.4 p -122.77 159.79 27.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.54 -60.68 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -106.08 -170.36 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 t -89.96 -42.31 11.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -50.85 -67.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.2 p -47.99 -27.23 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.753 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -55.81 -56.72 22.44 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.413 1.071 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -35.79 81.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.763 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.595 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 2.2 tt0 -47.74 -60.24 2.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.842 ' O ' HD12 ' A' ' 108' ' ' ILE . 77.6 m95 -60.52 -64.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.433 ' CG ' HD22 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -37.44 -53.94 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -58.56 -56.56 24.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.726 ' HA ' HD22 ' A' ' 130' ' ' LEU . 1.0 OUTLIER -55.03 -40.91 70.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 111.02 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.842 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.5 mp -65.05 -57.88 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.4 mt -45.13 -27.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 115' ' ' SER . 89.5 m -78.98 -42.02 27.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.413 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.714 HG22 ' HA ' ' A' ' 108' ' ' ILE . 33.6 m -90.64 30.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 25.4 p -146.09 -45.36 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.54 -16.12 33.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 70.43 23.51 4.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 110' ' ' THR . 1.5 t -141.62 -164.98 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.549 HG13 ' HB2' ' A' ' 130' ' ' LEU . 50.4 t -131.06 124.94 20.87 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.03 4.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.793 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -92.23 -19.04 22.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -89.81 16.52 7.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.551 HG22 ' H ' ' A' ' 121' ' ' SER . 0.5 OUTLIER -71.91 -170.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.551 ' H ' HG22 ' A' ' 120' ' ' VAL . 0.2 OUTLIER -117.19 -30.7 5.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.052 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.519 ' HA ' HD12 ' A' ' 122' ' ' LEU . 1.4 tp -40.66 159.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.601 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.3 mm? -65.23 169.58 5.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.601 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -74.99 -7.57 19.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.767 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -97.07 -35.13 5.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -72.76 -41.55 64.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.2 t -51.2 -34.2 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.767 HD12 ' HA2' ' A' ' 125' ' ' GLY . 29.3 mt -50.1 -47.18 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -45.08 -55.47 5.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.726 HD22 ' HA ' ' A' ' 107' ' ' PHE . 7.8 mt -46.75 -44.73 19.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -59.48 -43.81 93.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.611 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -71.25 -53.79 13.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.617 HG13 ' CG ' ' A' ' 19' ' ' TYR . 43.8 t -51.49 -38.82 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.516 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.2 tp -60.29 -72.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -41.04 -30.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -52.44 57.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.558 ' CB ' ' NH2' ' A' ' 140' ' ' ARG . 1.4 pt-20 -71.43 -28.1 63.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.516 ' HG3' HD12 ' A' ' 134' ' ' LEU . 13.5 mttm -53.39 -45.67 69.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -55.96 -37.11 68.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.558 ' NH2' ' CB ' ' A' ' 137' ' ' GLU . 31.6 mtm105 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.453 ' CG ' ' HD2' ' A' ' 136' ' ' ARG . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.742 HD13 ' C ' ' A' ' 18' ' ' LEU . 1.1 tm? -60.63 135.12 57.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.903 ' CD2' HG13 ' A' ' 133' ' ' VAL . 19.3 m-30 -108.68 -29.46 8.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.533 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 12.9 t80 -179.0 151.55 0.52 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -141.92 167.07 23.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.06 140.3 3.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.125 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -54.22 98.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.576 HD21 ' CD2' ' A' ' 93' ' ' LEU . 12.0 tp -100.07 157.95 16.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.785 HD23 ' C ' ' A' ' 35' ' ' GLU . 8.5 mt -111.06 117.13 32.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.558 HG13 ' CE1' ' A' ' 48' ' ' PHE . 17.3 mm -105.17 125.41 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.557 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 2.2 ttmt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.742 ' HB3' HD22 ' A' ' 25' ' ' LEU . 61.6 m-85 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.453 0.168 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.785 ' C ' HD23 ' A' ' 25' ' ' LEU . 56.0 mm-40 -105.47 140.67 38.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.711 ' CE1' HD21 ' A' ' 25' ' ' LEU . 77.0 m80 -88.74 110.73 21.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.578 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 37.1 m-85 -131.82 137.15 47.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' TYR . 76.1 t-105 -62.61 85.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.0 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.526 HG23 ' CD1' ' A' ' 48' ' ' PHE . 90.1 m -83.48 130.01 35.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -122.48 133.34 54.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.4 OUTLIER -90.96 116.35 28.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -132.33 127.25 35.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.438 ' HA2' ' CE2' ' A' ' 19' ' ' TYR . . . 50.0 -100.9 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 p -137.53 15.21 2.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 110.344 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 61' ' ' LEU . 6.2 m -122.0 128.27 51.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.3 mt -82.22 130.67 35.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -120.39 119.96 34.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.558 ' CE1' HG13 ' A' ' 26' ' ' ILE . 22.3 m-85 -100.7 135.22 42.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.054 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.476 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 68.2 m-85 -130.43 151.57 50.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.954 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.422 ' CG2' ' HB ' ' A' ' 58' ' ' VAL . 13.1 p -84.14 -31.98 24.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -157.29 165.44 35.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -64.83 -33.87 77.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.33 -43.23 95.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.6 m -47.05 129.69 12.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -98.26 -43.26 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.5 mm -91.63 108.0 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.476 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 50.8 p90 -50.53 131.0 24.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.422 ' HB ' ' CG2' ' A' ' 50' ' ' THR . 12.4 p -51.65 -38.31 21.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -167.34 155.55 9.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.417 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 5.5 pttt -132.29 159.73 38.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 61' ' ' LEU . 4.7 mt -128.61 175.29 8.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.727 ' OD2' HG12 ' A' ' 64' ' ' VAL . 24.2 t70 -137.22 127.67 26.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.605 HG22 HD21 ' A' ' 86' ' ' LEU . 13.9 pt -132.61 24.21 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.727 HG12 ' OD2' ' A' ' 62' ' ' ASP . 8.9 p -73.26 -31.7 35.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.72 17.6 20.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.586 ' HA ' HD23 ' A' ' 86' ' ' LEU . 1.7 tp -44.16 128.38 5.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -81.77 -35.42 29.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 174.51 -179.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 108.278 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -128.35 126.98 41.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.8 p -103.73 172.32 6.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.402 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.264 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 36.7 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -105.37 117.47 34.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -134.35 113.84 12.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.479 ' CE1' ' HB3' ' A' ' 93' ' ' LEU . 7.6 p90 -139.91 149.39 43.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 91' ' ' VAL . 5.0 m -107.52 139.5 41.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.528 HD12 HD13 ' A' ' 66' ' ' LEU . 1.2 mm? -84.89 106.64 16.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.1 t -83.54 112.19 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 89' ' ' GLU . 4.3 mt -116.48 157.57 45.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -0.51 10.06 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.427 1.751 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -112.72 -58.92 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.662 ' O ' HD12 ' A' ' 86' ' ' LEU . 5.2 tt0 -154.85 148.47 25.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -88.76 139.01 30.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.643 ' O ' HG23 ' A' ' 83' ' ' THR . 73.7 t -122.47 154.39 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -105.41 143.46 33.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.576 ' CD2' HD21 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -134.22 130.67 37.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.436 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 5.6 ttpt -134.15 143.18 47.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.502 HG22 HD11 ' A' ' 24' ' ' LEU . 34.4 p -112.73 -166.14 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 110.421 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -112.96 -56.82 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -103.18 175.41 5.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 99.9 m -69.83 -53.06 19.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.531 ' HG3' HD11 ' A' ' 122' ' ' LEU . 31.1 tt0 -46.49 -62.74 1.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -39.09 -35.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.944 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.92 -67.95 1.91 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -55.97 -28.83 58.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.341 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.533 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 1.5 mt-10 -59.84 -63.01 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.821 ' O ' HD12 ' A' ' 108' ' ' ILE . 90.9 m95 -63.69 -61.39 2.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 107.98 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 104' ' ' TRP . 9.0 ttp180 -38.36 -50.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.05 -52.2 34.17 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.575 ' CE1' HG21 ' A' ' 133' ' ' VAL . 1.0 OUTLIER -54.08 -44.44 71.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 0.717 . . . . 0.0 110.994 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.821 HD12 ' O ' ' A' ' 104' ' ' TRP . 2.3 mp -65.44 -52.86 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 109' ' ' LEU . 20.0 mt -52.32 -21.4 3.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.58 HG21 ' O ' ' A' ' 130' ' ' LEU . 53.3 m -86.34 -38.54 17.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.755 HG22 ' HA ' ' A' ' 108' ' ' ILE . 27.7 m -91.47 22.79 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 108' ' ' ILE . 41.1 p -136.88 -46.41 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.421 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -87.12 -4.12 59.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 58.74 22.8 10.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 110' ' ' THR . 1.9 t -138.92 -160.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.953 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.416 HG23 HD23 ' A' ' 134' ' ' LEU . 61.6 t -135.29 119.07 13.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 124.73 8.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -94.37 15.29 17.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -106.7 27.81 8.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.499 HG21 HG22 ' A' ' 127' ' ' VAL . 21.7 m -102.77 129.86 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -10.37 59.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 122' ' ' LEU . 1.6 tp -44.82 160.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.624 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.0 OUTLIER -65.13 169.2 6.03 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.624 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.97 -8.19 19.87 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.759 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -96.63 -33.29 6.2 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -75.13 -41.85 57.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.418 0.717 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.499 HG22 HG21 ' A' ' 120' ' ' VAL . 2.2 t -51.38 -35.04 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.759 HD12 ' HA2' ' A' ' 125' ' ' GLY . 35.5 mt -52.13 -48.14 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.407 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 5.0 mmmm -42.55 -50.73 5.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.58 ' O ' HG21 ' A' ' 110' ' ' THR . 17.9 mt -52.24 -43.62 64.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 128' ' ' ILE . 2.0 m-70 -64.09 -47.3 80.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.651 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -63.82 -57.43 9.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.155 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.903 HG13 ' CD2' ' A' ' 19' ' ' TYR . 53.6 t -47.29 -45.21 9.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.479 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.5 tp -54.93 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.17 -35.54 3.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.453 ' HD2' ' CG ' ' A' ' 17' ' ' PRO . 2.5 mmt180 -60.85 -53.17 60.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 1.7 pt-20 -70.47 -26.49 63.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.479 ' HG3' HD12 ' A' ' 134' ' ' LEU . 36.9 mttt -52.86 -54.13 38.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -47.31 -48.46 25.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.675 HD21 ' OE1' ' A' ' 21' ' ' GLU . 14.2 tp -64.2 141.97 58.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.712 ' CD2' HG13 ' A' ' 133' ' ' VAL . 22.6 m-30 -117.82 -36.68 3.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.58 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 11.5 t80 -163.65 152.21 13.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.675 ' OE1' HD21 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -144.23 149.95 37.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.98 136.99 2.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -50.59 110.04 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.609 HD21 ' CD2' ' A' ' 93' ' ' LEU . 15.6 tp -109.92 149.26 30.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.038 HD23 ' O ' ' A' ' 35' ' ' GLU . 7.1 mt -102.61 128.54 49.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.8 mm -118.04 132.17 68.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 1.3 tttm . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.571 ' CE2' ' HE2' ' A' ' 94' ' ' LYS . 66.2 m-85 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.503 0.192 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 1.038 ' O ' HD23 ' A' ' 25' ' ' LEU . 4.3 mt-10 -98.79 158.93 15.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.794 ' CE1' HD21 ' A' ' 25' ' ' LEU . 70.0 m80 -106.81 106.96 17.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.639 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -127.29 139.58 52.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' TYR . 76.0 t-105 -62.51 89.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.771 HG23 ' CD1' ' A' ' 48' ' ' PHE . 25.3 m -82.12 122.97 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -118.32 127.33 53.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.23 116.97 29.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -134.75 127.19 30.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.57 -101.13 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 p -140.18 16.96 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.531 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 3.3 m -121.82 118.31 28.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.421 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.8 mt -73.33 126.86 31.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.531 ' CD2' ' O ' ' A' ' 45' ' ' THR . 96.5 m-85 -117.4 125.71 51.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.771 ' CD1' HG23 ' A' ' 39' ' ' THR . 7.8 m-85 -109.93 127.02 54.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' TRP . 75.5 m-85 -122.3 166.24 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.1 p -77.07 -51.4 11.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.386 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -141.13 -67.75 0.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' LYS . 10.9 tttm -172.32 -62.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' LYS . 18.5 mmmt -40.24 -36.23 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 t -45.05 119.59 2.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.406 ' HB ' HD12 ' A' ' 56' ' ' ILE . 1.6 mp -84.55 -55.33 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.406 HD12 ' HB ' ' A' ' 55' ' ' ILE . 5.0 mp -89.44 95.18 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.499 ' CZ ' ' HD3' ' A' ' 60' ' ' LYS . 34.7 p90 -37.49 135.52 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.5 p -51.9 -33.18 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.354 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -174.55 156.72 2.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.499 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 41.9 pttt -133.84 163.95 28.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.538 HD11 HG11 ' A' ' 91' ' ' VAL . 3.7 mt -128.36 -176.77 3.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.405 ' OD2' HG12 ' A' ' 64' ' ' VAL . 20.0 t70 -143.6 125.17 14.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.529 ' O ' HG22 ' A' ' 112' ' ' THR . 5.9 pt -133.37 24.5 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.405 HG12 ' OD2' ' A' ' 62' ' ' ASP . 9.6 p -74.74 -38.03 43.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.72 19.99 12.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.246 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.646 ' HA ' HD23 ' A' ' 86' ' ' LEU . 5.5 tp -40.41 133.32 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.68 -39.94 21.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 175.85 -178.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.318 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.476 ' CD2' ' OE2' ' A' ' 71' ' ' GLU . 0.8 OUTLIER -131.68 133.04 44.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 5.7 p -112.2 148.03 34.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.476 ' OE2' ' CD2' ' A' ' 69' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.435 ' CB ' ' HA3' ' A' ' 101' ' ' GLY . . . -120.17 113.38 20.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -136.12 116.57 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.493 ' CB ' ' O ' ' A' ' 70' ' ' THR . 2.9 p90 -139.6 156.61 46.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 25.1 m -104.58 135.47 45.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.432 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.654 HD23 HD13 ' A' ' 93' ' ' LEU . 0.7 OUTLIER -89.26 96.49 10.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.5 t -75.89 123.84 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.646 HD23 ' HA ' ' A' ' 66' ' ' LEU . 2.7 mt -126.28 157.74 69.1 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.84 8.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.766 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -113.27 -56.28 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.644 ' O ' HD12 ' A' ' 86' ' ' LEU . 8.7 tt0 -159.0 154.12 25.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 12.0 mt-10 -91.69 146.14 24.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.346 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.538 HG11 HD11 ' A' ' 61' ' ' LEU . 75.7 t -132.64 149.0 31.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -103.17 142.27 34.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.654 HD13 HD23 ' A' ' 84' ' ' LEU . 2.9 mp -125.73 161.95 26.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.571 ' HE2' ' CE2' ' A' ' 34' ' ' TYR . 1.9 ttmm -154.21 137.6 15.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.408 HG22 ' CD1' ' A' ' 24' ' ' LEU . 40.3 p -126.87 -42.73 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.403 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.469 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 2.6 mm-40 65.18 49.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 174.23 117.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 m -44.98 -54.54 6.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.415 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -48.7 -73.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.3 m -42.06 -50.11 4.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.435 ' HA3' ' CB ' ' A' ' 80' ' ' ALA . . . -54.6 -69.95 1.1 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.645 ' OE2' HG12 ' A' ' 120' ' ' VAL . 1.4 mm-40 -39.8 -43.01 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.35 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.58 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 4.7 mt-10 -54.48 -69.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.83 ' O ' HD12 ' A' ' 108' ' ' ILE . 87.4 m95 -51.22 -62.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 108.021 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -38.07 -48.29 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -69.09 -60.88 4.91 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.12 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.417 ' CE1' ' HB3' ' A' ' 129' ' ' LYS . 6.2 m-85 -46.74 -42.88 17.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.6 mp -65.36 -61.21 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 47.8 mt -44.66 -26.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.247 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.721 HG21 ' O ' ' A' ' 130' ' ' LEU . 97.1 m -80.51 -40.82 25.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.379 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.723 HG22 ' HA ' ' A' ' 108' ' ' ILE . 32.8 m -91.61 28.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 63' ' ' ILE . 21.4 p -144.8 -46.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -85.47 -9.95 56.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 63.56 22.14 13.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.459 ' HA ' HD22 ' A' ' 134' ' ' LEU . 0.7 OUTLIER -141.94 -160.89 1.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.99 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 48.5 t -133.92 123.14 16.86 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 119.59 5.72 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -90.42 25.66 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -123.79 38.83 4.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.645 HG12 ' OE2' ' A' ' 102' ' ' GLU . 4.3 m -111.03 138.43 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.95 -5.58 59.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 122' ' ' LEU . 1.9 tp -50.45 161.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.617 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.2 mm? -64.97 169.3 5.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.617 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.2 Cg_endo -75.03 -7.93 19.58 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.819 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -97.04 -34.22 5.74 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 110.945 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -74.78 -36.92 62.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 0.733 . . . . 0.0 110.28 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.93 -30.22 37.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.819 HD12 ' HA2' ' A' ' 125' ' ' GLY . 38.4 mt -54.99 -48.41 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.417 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 6.8 mmmm -43.94 -53.0 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.721 ' O ' HG21 ' A' ' 110' ' ' THR . 13.4 mt -49.81 -42.99 48.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -65.0 -51.65 60.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.583 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -61.05 -59.91 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.258 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.712 HG13 ' CD2' ' A' ' 19' ' ' TYR . 55.7 t -42.32 -46.17 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.571 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.6 tp -52.81 -68.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.08 -36.74 13.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -59.62 -50.69 72.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 3.3 pt-20 -73.23 -27.86 61.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.571 ' HG3' HD12 ' A' ' 134' ' ' LEU . 16.1 mttm -50.62 -50.66 53.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -48.89 -38.29 22.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.348 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.843 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.941 HD21 ' CD ' ' A' ' 21' ' ' GLU . 16.3 tp -57.2 143.23 39.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -123.72 -42.05 2.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.574 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 4.1 t80 -159.41 153.35 23.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.941 ' CD ' HD21 ' A' ' 18' ' ' LEU . 15.2 pm0 -157.14 143.84 18.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.44 142.92 3.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -41.65 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.746 . . . . 0.0 110.982 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.452 ' CD1' HG22 ' A' ' 95' ' ' THR . 19.5 tp -109.77 150.01 28.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.754 HD23 ' O ' ' A' ' 35' ' ' GLU . 12.7 mt -102.44 127.97 49.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.9 mm -116.12 126.98 73.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.658 ' HB3' HD22 ' A' ' 25' ' ' LEU . 56.4 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.467 0.175 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.754 ' O ' HD23 ' A' ' 25' ' ' LEU . 46.4 mm-40 -104.13 144.68 31.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.682 ' CD2' HD21 ' A' ' 25' ' ' LEU . 48.6 m80 -91.17 111.5 23.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.49 ' HE1' HG22 ' A' ' 50' ' ' THR . 34.4 m-85 -131.41 136.85 48.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.426 ' N ' ' O ' ' A' ' 49' ' ' TYR . 73.5 t-105 -65.68 95.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 107.982 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.1 m -88.7 142.02 28.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 110.394 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -132.28 127.65 36.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.01 125.8 35.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 44' ' ' THR . 24.3 mtt180 -146.12 127.65 15.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.02 -92.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 42' ' ' ARG . 7.3 p -151.48 32.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 0.737 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.9 m -136.45 114.95 11.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.354 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 30.3 mt -74.7 129.89 38.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -117.95 121.39 40.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 59' ' ' ASP . 14.4 m-85 -101.75 137.5 39.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 57' ' ' TYR . 70.3 m-85 -134.02 131.2 38.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.49 HG22 ' HE1' ' A' ' 37' ' ' TYR . 34.4 p -61.3 -29.79 70.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -164.13 158.74 19.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -62.88 -37.46 87.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -55.24 -45.46 76.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.66 138.24 23.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.969 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.1 mm -91.72 -47.1 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.0 mt -85.7 149.55 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 55.2 p90 -87.58 126.79 35.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.484 ' HB ' HG23 ' A' ' 50' ' ' THR . 9.9 p -45.43 -49.21 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.461 ' N ' HG13 ' A' ' 58' ' ' VAL . 2.7 m-20 -162.79 151.78 14.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.7 pttt -122.78 158.52 30.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 61' ' ' LEU . 4.6 mt -131.24 167.83 18.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.473 ' OD2' HG12 ' A' ' 64' ' ' VAL . 1.7 t70 -134.18 132.99 40.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.597 HG22 HD21 ' A' ' 86' ' ' LEU . 14.4 pt -133.55 30.97 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.473 HG12 ' OD2' ' A' ' 62' ' ' ASP . 7.2 p -75.4 -41.81 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.29 17.68 6.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.632 ' HA ' HD23 ' A' ' 86' ' ' LEU . 8.9 tp -44.74 134.35 5.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -85.03 -35.04 22.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 175.46 -178.1 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 108.319 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.442 HD11 ' CD1' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -131.03 126.26 35.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.1 p -99.73 166.58 11.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 72.5 m . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.664 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -84.78 114.99 22.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -126.86 118.22 24.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.442 ' CD1' HD11 ' A' ' 69' ' ' LEU . 13.6 p90 -144.71 151.93 39.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 91' ' ' VAL . 1.4 m -111.62 137.1 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.605 HD23 HD13 ' A' ' 93' ' ' LEU . 2.0 mm? -82.01 114.06 20.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 40.7 t -93.63 109.78 22.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 66' ' ' LEU . 5.1 mt -113.51 157.67 40.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 1.75 7.38 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.3 -61.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.473 ' O ' HD12 ' A' ' 86' ' ' LEU . 5.8 tt0 -150.55 153.18 35.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.351 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.403 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 1.5 mt-10 -96.56 144.47 26.6 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.547 ' O ' HG23 ' A' ' 83' ' ' THR . 78.6 t -127.51 146.79 32.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -100.58 124.73 46.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.328 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.605 HD13 HD23 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -112.5 135.17 53.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 4.0 ttpt -137.63 147.68 45.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.504 HG21 ' HA2' ' A' ' 101' ' ' GLY . 19.8 p -120.12 161.85 20.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -85.8 -46.65 10.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -102.53 170.68 7.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 65.5 m -84.24 -54.58 4.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.417 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -47.95 -63.9 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.6 m -43.41 -36.38 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.664 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -54.45 -52.68 43.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.554 ' OE2' HG12 ' A' ' 120' ' ' VAL . 1.2 mm-40 -62.47 -25.97 68.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.574 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 3.2 mt-10 -67.92 -68.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.926 ' O ' HD12 ' A' ' 108' ' ' ILE . 78.9 m95 -44.57 -63.49 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 107.972 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 104' ' ' TRP . 4.4 ttp180 -37.61 -61.54 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -48.84 -68.92 1.12 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.793 ' CE1' HG21 ' A' ' 133' ' ' VAL . 14.8 m-85 -41.85 -47.52 4.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.926 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.8 mp -64.32 -51.79 63.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.422 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 20.0 mt -54.83 -17.7 3.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.78 HG23 ' O ' ' A' ' 115' ' ' SER . 33.3 m -88.58 -44.54 10.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.581 HG22 ' HA ' ' A' ' 108' ' ' ILE . 15.9 m -81.78 8.9 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.861 HG23 ' O ' ' A' ' 108' ' ' ILE . 67.6 p -122.39 -51.41 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -81.64 -10.73 59.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 114' ' ' LEU . 0.2 OUTLIER 64.01 18.68 11.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.78 ' O ' HG23 ' A' ' 110' ' ' THR . 0.4 OUTLIER -138.79 -154.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 42.3 t -135.93 127.89 17.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 116' ' ' VAL . 18.4 Cg_endo -75.0 117.62 4.98 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 111.068 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -91.67 22.87 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -127.53 49.97 2.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.554 HG12 ' OE2' ' A' ' 102' ' ' GLU . 0.3 OUTLIER -118.3 160.41 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.08 -6.74 23.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.481 HD21 ' CG ' ' A' ' 103' ' ' GLU . 1.2 tp -50.97 159.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.627 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.3 mm? -65.27 169.58 5.68 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.627 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -74.98 -8.11 19.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.774 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -97.01 -33.34 6.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -74.44 -42.46 59.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 t -50.38 -34.18 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.774 HD12 ' HA2' ' A' ' 125' ' ' GLY . 32.4 mt -51.47 -47.22 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -47.55 -53.27 14.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.751 ' O ' HG21 ' A' ' 110' ' ' THR . 23.6 mt -49.61 -31.48 10.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -79.43 -50.44 10.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.633 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.87 -40.77 94.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.793 HG21 ' CE1' ' A' ' 107' ' ' PHE . 44.4 t -61.1 -43.36 96.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.55 HD22 ' HA ' ' A' ' 115' ' ' SER . 5.6 tp -56.55 -65.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.456 ' O ' ' CD ' ' A' ' 139' ' ' LYS . 37.1 mt-10 -49.81 -30.89 10.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.3 mmt-85 -64.13 -62.89 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 1.2 pt-20 -63.39 -25.19 68.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.544 ' HG3' HD12 ' A' ' 134' ' ' LEU . 11.3 mttm -51.46 -58.99 4.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.456 ' CD ' ' O ' ' A' ' 135' ' ' GLU . 0.0 OUTLIER -41.33 -52.97 3.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 14.1 ttp85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.915 0 N-CA-C 111.049 -0.404 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.585 HD21 ' HG2' ' A' ' 21' ' ' GLU . 8.5 tp -71.91 139.67 48.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.443 ' CG ' HG13 ' A' ' 133' ' ' VAL . 23.1 m-85 -115.72 -37.36 3.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.57 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 4.7 t80 -161.03 150.25 16.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG2' HD21 ' A' ' 18' ' ' LEU . 2.4 pt-20 -151.88 135.12 15.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . 178.67 133.31 1.89 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -38.0 96.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.604 HD21 HD23 ' A' ' 93' ' ' LEU . 14.1 tp -98.24 153.17 18.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.903 HD21 ' CD2' ' A' ' 36' ' ' HIS . 12.1 mt -107.24 125.79 51.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.417 HG13 ' CE1' ' A' ' 48' ' ' PHE . 14.1 mm -113.19 133.44 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.57 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 52.9 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.461 0.172 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.535 ' O ' HD23 ' A' ' 25' ' ' LEU . 41.9 mm-40 -102.41 145.17 29.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.903 ' CD2' HD21 ' A' ' 25' ' ' LEU . 6.6 m80 -95.18 118.25 31.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.632 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.702 ' HE1' HG22 ' A' ' 50' ' ' THR . 32.0 m-85 -144.18 135.99 26.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.549 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 61.4 t-105 -60.4 92.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 108.047 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.406 HG21 HD23 ' A' ' 24' ' ' LEU . 45.7 m -81.59 133.67 35.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -123.56 122.96 39.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 107' ' ' PHE . 0.1 OUTLIER -91.17 123.35 34.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -148.39 126.98 12.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.16 -97.9 0.07 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.432 HG22 ' HB ' ' A' ' 111' ' ' VAL . 6.2 p -146.47 20.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 110.379 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.8 m -124.84 123.73 40.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.374 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.0 mt -79.84 132.58 36.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -120.28 124.47 45.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.482 ' CZ ' HD12 ' A' ' 61' ' ' LEU . 28.6 m-85 -105.45 137.41 43.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.539 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 68.1 m-85 -134.56 127.33 31.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.702 HG22 ' HE1' ' A' ' 37' ' ' TYR . 31.7 p -60.43 -31.79 70.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 54' ' ' SER . 41.0 m-20 -162.61 143.97 10.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -44.54 -41.6 6.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -51.36 -42.4 61.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 51' ' ' ASP . 48.7 m -41.64 123.83 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -79.18 -42.47 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.47 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.1 pp -111.28 139.43 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.539 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 53.9 p90 -61.59 128.57 36.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 111.049 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.672 ' HB ' HG23 ' A' ' 50' ' ' THR . 6.2 p -52.07 -40.67 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.23 152.78 15.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -129.61 159.86 35.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.482 HD12 ' CZ ' ' A' ' 48' ' ' PHE . 9.0 mt -134.1 161.92 33.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -124.63 129.09 49.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.736 HD12 HG23 ' A' ' 108' ' ' ILE . 10.5 pt -128.81 23.62 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.0 p -72.49 -34.24 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.77 12.72 22.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.519 ' HA ' HD23 ' A' ' 86' ' ' LEU . 3.3 tp -43.58 129.34 5.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -85.38 -39.11 17.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.373 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -179.04 -179.16 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 108.301 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.486 HD21 ' CB ' ' A' ' 82' ' ' PHE . 0.7 OUTLIER -131.54 127.14 36.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.3 p -104.04 172.46 6.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.352 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.591 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -130.39 124.88 33.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -134.38 122.26 22.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.486 ' CB ' HD21 ' A' ' 69' ' ' LEU . 1.7 p90 -137.05 157.24 47.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.1 m -116.84 114.72 24.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.739 HD22 HD13 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -66.17 101.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.378 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.7 t -76.0 118.6 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.843 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.6 mt -122.41 156.89 60.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.29 9.05 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -113.45 -58.27 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.843 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.2 tt0 -156.74 149.15 23.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -87.44 133.83 33.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.4 t -112.4 144.88 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -104.6 138.87 40.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.739 HD13 HD22 ' A' ' 84' ' ' LEU . 2.9 mp -128.89 154.85 46.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.515 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -153.8 147.68 25.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.8 p -129.1 152.35 48.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.452 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -52.64 -57.43 10.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.272 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -119.32 168.7 10.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.1 t -61.53 -41.18 96.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.375 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -43.44 -64.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.05 -48.09 8.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.013 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.591 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -47.89 -70.83 0.66 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -45.9 -30.6 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 110.35 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.57 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 1.9 mt-10 -68.01 -68.37 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.804 ' O ' HD12 ' A' ' 108' ' ' ILE . 86.3 m95 -52.79 -58.29 7.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 108.047 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.45 ' HG3' ' CD2' ' A' ' 82' ' ' PHE . 5.5 ttp180 -42.12 -35.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.252 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.01 -67.08 1.89 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.543 ' CE2' HG21 ' A' ' 133' ' ' VAL . 22.5 m-85 -44.79 -41.75 7.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.97 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.804 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.8 mp -67.57 -63.99 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.459 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 27.9 mt -42.07 -25.27 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.903 HG23 ' O ' ' A' ' 115' ' ' SER . 84.7 m -79.78 -62.73 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.535 HG22 ' HA ' ' A' ' 108' ' ' ILE . 15.5 m -58.33 -14.95 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.459 ' OG1' ' HA ' ' A' ' 109' ' ' LEU . 25.4 p -95.34 -53.87 3.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.356 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 114' ' ' LEU . 13.6 mt-10 -84.06 10.48 9.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 110' ' ' THR . 0.2 OUTLIER 39.32 33.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.903 ' O ' HG23 ' A' ' 110' ' ' THR . 0.3 OUTLIER -149.88 -162.89 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 48.7 t -126.71 122.1 23.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 122.85 7.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.804 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -92.02 25.78 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -124.96 42.76 3.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.1 m -116.42 151.2 18.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.32 -8.98 26.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 122' ' ' LEU . 1.6 tp -43.44 161.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.621 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.1 mm? -65.67 169.27 6.7 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.621 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.98 -8.01 19.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.731 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -96.65 -33.96 5.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -74.08 -43.68 56.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.02 -34.17 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.731 HD12 ' HA2' ' A' ' 125' ' ' GLY . 37.8 mt -51.01 -47.92 30.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -45.81 -58.28 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 45.1 mt -44.16 -40.44 5.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -67.16 -55.37 14.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.58 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -58.32 -52.88 63.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.543 HG21 ' CE2' ' A' ' 107' ' ' PHE . 46.2 t -50.69 -40.84 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.513 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.0 tp -59.11 -64.52 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -52.34 -27.08 14.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 2.4 mmt85 -64.77 -59.65 3.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.426 ' CD ' HD13 ' A' ' 114' ' ' LEU . 8.1 pt-20 -66.36 -38.52 87.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.513 ' HG3' HD12 ' A' ' 134' ' ' LEU . 7.1 mttm -39.45 -47.75 1.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -51.22 -52.89 40.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 137' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.507 HD21 ' OE1' ' A' ' 21' ' ' GLU . 41.3 tp -98.42 150.07 22.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.949 ' CD2' HG13 ' A' ' 133' ' ' VAL . 18.9 m-30 -115.18 -70.06 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -120.17 171.47 8.46 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.507 ' OE1' HD21 ' A' ' 18' ' ' LEU . 3.4 pt-20 -173.2 112.83 0.22 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.259 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.49 166.54 38.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.575 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 2.3 m-85 -73.11 108.6 6.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.05 HD21 HD23 ' A' ' 93' ' ' LEU . 18.4 tp -113.32 156.01 24.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.785 HD23 ' C ' ' A' ' 35' ' ' GLU . 5.2 mt -103.89 121.95 44.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.432 HD11 HD23 ' A' ' 24' ' ' LEU . 14.5 mm -111.17 126.18 68.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 3.6 tttt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.566 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 47.5 m-85 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.471 0.177 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.785 ' C ' HD23 ' A' ' 25' ' ' LEU . 76.2 mm-40 -111.0 140.28 45.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.325 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 23' ' ' PHE . 1.9 t-80 -83.84 119.57 25.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.577 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.561 ' CE1' HG22 ' A' ' 50' ' ' THR . 34.6 m-85 -142.41 135.3 28.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.554 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 59.1 t-105 -65.87 90.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.035 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.68 HG22 ' CH2' ' A' ' 104' ' ' TRP . 52.4 m -82.69 147.69 28.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.466 ' HG2' ' CB ' ' A' ' 21' ' ' GLU . 14.3 mt-10 -135.8 121.23 19.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -97.73 114.7 26.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.455 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -132.64 138.99 47.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.644 ' HA2' ' CE2' ' A' ' 19' ' ' TYR . . . 43.25 -94.68 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 42' ' ' ARG . 2.3 p -141.72 21.68 2.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 0.752 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.6 m -120.65 131.61 54.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.479 ' CD2' ' HG ' ' A' ' 41' ' ' LEU . 74.4 mt -98.78 126.61 44.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' ' 39' ' ' THR . 59.6 m-85 -112.75 150.44 31.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.885 ' O ' HG12 ' A' ' 58' ' ' VAL . 12.1 m-85 -132.2 118.22 19.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 57' ' ' TYR . 90.3 m-85 -118.53 167.7 11.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.561 HG22 ' CE1' ' A' ' 37' ' ' TYR . 69.3 p -104.31 -28.03 11.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -161.66 148.41 14.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.247 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -48.32 -39.32 21.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -56.08 -49.69 73.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.5 m -41.93 123.94 2.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.6 mm -87.72 -47.01 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.162 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.3 mm -94.34 125.47 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.527 ' CZ ' ' HD3' ' A' ' 60' ' ' LYS . 36.6 p90 -65.16 136.36 56.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.885 HG12 ' O ' ' A' ' 48' ' ' PHE . 7.5 p -50.77 -33.68 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -178.04 156.19 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.527 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 4.9 pttt -130.84 155.98 45.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.0 mt -128.57 176.54 7.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.78 135.52 38.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.658 HG22 HD21 ' A' ' 86' ' ' LEU . 6.9 pt -132.68 29.58 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.4 -30.97 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.43 13.34 30.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.519 HD13 HD12 ' A' ' 84' ' ' LEU . 3.9 tp -40.57 132.57 2.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.81 -30.4 20.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 171.74 -177.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 108.328 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.552 HD12 HD13 ' A' ' 84' ' ' LEU . 1.3 tt -134.19 126.64 30.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.1 p -101.85 175.76 5.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 80.7 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.494 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -85.75 115.34 23.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -119.92 122.78 42.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -147.79 150.57 34.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 91' ' ' VAL . 7.3 m -113.22 124.12 51.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.954 HD23 HD13 ' A' ' 93' ' ' LEU . 1.8 mm? -72.29 103.86 3.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.2 t -78.91 122.0 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.93 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.7 mt -123.52 157.91 60.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.01 9.44 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -114.54 -58.46 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.93 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.3 tt0 -156.99 148.29 22.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -87.03 156.15 19.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 83' ' ' THR . 69.6 t -135.48 144.46 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.448 ' C ' HD12 ' A' ' 93' ' ' LEU . 61.4 mt-30 -103.72 137.92 41.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 1.05 HD23 HD21 ' A' ' 24' ' ' LEU . 8.1 mp -127.91 157.26 41.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 6.1 tttt -154.2 148.51 26.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.633 HG22 ' CD1' ' A' ' 24' ' ' LEU . 70.1 p -126.05 167.69 14.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.391 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.12 -65.37 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -97.92 153.8 18.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 88.2 m -56.53 -47.44 79.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.461 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.414 ' C ' ' N ' ' A' ' 101' ' ' GLY . 1.1 mm-40 -45.78 -68.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.54 -29.8 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.966 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.494 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -64.13 -61.78 5.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -52.4 -35.46 51.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.47 ' HG3' HD11 ' A' ' 122' ' ' LEU . 3.9 mt-10 -58.47 -67.97 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.931 ' O ' HD12 ' A' ' 108' ' ' ILE . 62.5 m95 -50.01 -65.41 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -37.99 -61.3 0.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 110.26 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -55.06 -55.66 27.01 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.52 ' CE1' HG21 ' A' ' 133' ' ' VAL . 3.4 m-85 -49.47 -43.34 44.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.931 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.8 mp -66.98 -56.08 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.9 mt -48.05 -23.8 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.615 HG21 ' O ' ' A' ' 130' ' ' LEU . 57.1 m -82.54 -39.66 22.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.712 HG22 ' HA ' ' A' ' 108' ' ' ILE . 34.1 m -92.48 27.44 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 108' ' ' ILE . 40.0 p -142.92 -45.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.437 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.47 -15.83 44.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.3 mm? 70.73 23.11 4.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.45 ' O ' HG23 ' A' ' 110' ' ' THR . 0.1 OUTLIER -145.45 -158.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.002 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 48.8 t -130.91 123.43 20.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 120.61 6.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.87 -4.29 58.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -98.69 62.03 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.6 m -132.26 140.41 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.4 -6.55 57.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.485 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.1 OUTLIER -51.1 177.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.573 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -103.28 -175.47 0.39 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.5 Cg_endo -75.02 -11.0 21.43 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.783 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.714 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -90.54 -35.45 7.37 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.485 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 1.8 mt-30 -75.96 -49.62 17.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.6 t -44.36 -36.56 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.714 HD12 ' HA2' ' A' ' 125' ' ' GLY . 58.0 mt -49.41 -50.68 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.445 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 6.7 mmmm -48.45 -53.54 17.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.615 ' O ' HG21 ' A' ' 110' ' ' THR . 15.8 mt -51.46 -41.48 60.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -65.79 -52.83 47.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.569 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -60.57 -58.62 7.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.949 HG13 ' CD2' ' A' ' 19' ' ' TYR . 55.8 t -45.48 -43.26 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.591 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.4 tp -58.12 -69.49 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -46.61 -31.22 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.3 mmt-85 -63.83 -48.91 74.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 5.0 pt-20 -74.86 -30.56 61.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.591 ' HG3' HD12 ' A' ' 134' ' ' LEU . 25.5 mttt -50.1 -42.3 50.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -61.69 -64.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.424 ' CG ' ' HD2' ' A' ' 136' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.681 HD21 ' OE1' ' A' ' 40' ' ' GLU . 2.2 tm? -57.12 134.71 56.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.648 ' CD2' HG13 ' A' ' 133' ' ' VAL . 20.5 m-30 -110.9 -28.62 8.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 6.8 t80 -170.86 140.76 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.529 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 3.6 pt-20 -129.18 139.83 51.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.58 154.08 8.96 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -71.12 108.72 4.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 110.954 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.461 ' CD1' HG22 ' A' ' 95' ' ' THR . 13.1 tp -105.14 153.55 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.817 HD23 ' O ' ' A' ' 35' ' ' GLU . 12.7 mt -106.77 116.64 32.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 mm -108.8 128.95 64.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.563 ' HE2' ' CE2' ' A' ' 34' ' ' TYR . 2.1 ttpp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CE2' ' HE2' ' A' ' 27' ' ' LYS . 60.7 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.49 0.186 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.817 ' O ' HD23 ' A' ' 25' ' ' LEU . 8.6 mm-40 -109.95 151.25 27.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.55 ' CD2' HD21 ' A' ' 25' ' ' LEU . 67.2 m80 -92.85 121.63 34.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 45.0 m-85 -141.43 137.56 32.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.529 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 72.9 t-105 -63.78 84.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.041 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.526 HG23 ' CD1' ' A' ' 48' ' ' PHE . 52.6 m -81.7 135.85 35.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.681 ' OE1' HD21 ' A' ' 18' ' ' LEU . 4.7 mm-40 -125.09 136.99 54.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.479 HD22 ' HD2' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -94.94 117.11 29.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.419 ' N ' HD23 ' A' ' 41' ' ' LEU . 15.3 mtt180 -135.27 126.91 28.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.33 -96.43 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -142.24 16.76 2.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.2 m -120.27 123.83 44.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.2 mt -80.38 113.07 18.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -101.26 119.46 38.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.526 ' CD1' HG23 ' A' ' 39' ' ' THR . 10.9 m-85 -102.27 139.76 37.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.417 ' O ' ' N ' ' A' ' 38' ' ' TRP . 75.9 m-85 -132.66 155.07 49.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.841 HG23 ' HB ' ' A' ' 58' ' ' VAL . 76.0 p -93.29 -28.57 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -160.07 152.97 21.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -38.68 78.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -56.49 -40.89 75.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.93 139.26 41.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.976 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.7 mt -106.29 -43.38 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.8 mt -87.9 105.2 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.487 ' CZ ' ' HD3' ' A' ' 60' ' ' LYS . 55.8 p90 -44.46 129.98 6.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.841 ' HB ' HG23 ' A' ' 50' ' ' THR . 6.2 p -52.11 -47.81 42.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.435 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -156.35 160.59 39.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.487 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 9.2 pttt -141.39 162.01 36.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.496 ' CD1' HG11 ' A' ' 91' ' ' VAL . 7.5 mt -135.84 176.16 8.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -136.31 131.77 34.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.814 HG22 HD21 ' A' ' 86' ' ' LEU . 6.7 pt -134.37 21.36 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.8 p -69.02 -32.15 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.45 16.71 22.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.577 ' HA ' HD23 ' A' ' 86' ' ' LEU . 2.4 tp -43.19 133.61 3.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -88.32 -30.76 19.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 110.355 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 170.61 -178.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.306 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.71 HD12 HD13 ' A' ' 84' ' ' LEU . 1.1 tt -132.92 128.43 36.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.7 p -99.79 168.71 9.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.386 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.83 119.94 38.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -135.36 115.83 13.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.427 ' CE1' ' HB3' ' A' ' 93' ' ' LEU . 4.3 p90 -142.64 156.53 45.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 91' ' ' VAL . 3.0 m -115.04 137.83 51.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.354 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.71 HD13 HD12 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -86.2 111.94 20.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -84.86 125.16 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.814 HD21 HG22 ' A' ' 63' ' ' ILE . 2.7 mt -127.0 156.58 74.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.48 8.84 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.36 -57.34 2.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.751 ' O ' HD12 ' A' ' 86' ' ' LEU . 3.7 tt0 -158.13 151.32 23.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.21 142.57 27.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.496 HG11 ' CD1' ' A' ' 61' ' ' LEU . 66.8 t -124.44 139.44 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -91.36 138.05 31.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.709 HD13 HD23 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -129.49 144.11 51.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.518 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -146.94 147.3 30.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.501 HG21 ' HA2' ' A' ' 101' ' ' GLY . 8.8 p -123.7 -177.41 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.434 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -80.86 -48.2 12.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -146.05 166.93 24.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.1 m -51.6 -43.29 62.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -46.93 -63.85 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.51 -40.47 71.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.501 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -55.06 -66.38 2.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.705 ' OE2' HG12 ' A' ' 120' ' ' VAL . 1.4 mm-40 -39.16 -42.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 0.795 . . . . 0.0 110.336 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.573 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 2.6 mt-10 -55.56 -70.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.773 ' O ' HD12 ' A' ' 108' ' ' ILE . 84.0 m95 -49.63 -61.79 1.92 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 107.961 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -39.91 -45.17 1.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.06 -53.59 10.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.618 ' CE1' ' HB3' ' A' ' 129' ' ' LYS . 7.2 m-85 -53.79 -42.44 68.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.773 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.7 mp -65.26 -59.73 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 45.9 mt -45.49 -26.11 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.58 HG21 ' O ' ' A' ' 130' ' ' LEU . 96.4 m -80.68 -40.94 24.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 110.409 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.725 HG22 ' HA ' ' A' ' 108' ' ' ILE . 31.2 m -91.15 28.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 23.8 p -144.16 -45.42 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.47 -19.31 31.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 73.33 21.27 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.429 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -148.2 -179.76 7.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.442 HG23 HD23 ' A' ' 134' ' ' LEU . 57.8 t -108.02 125.05 32.96 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.39 18.92 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -95.69 -5.74 41.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -97.27 60.97 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.705 HG12 ' OE2' ' A' ' 102' ' ' GLU . 1.2 m -133.21 157.17 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.87 0.01 27.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.496 HD13 ' HB3' ' A' ' 102' ' ' GLU . 0.3 OUTLIER -52.08 -176.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.635 ' O ' HG23 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -108.96 -176.33 0.4 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.558 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.02 -20.23 17.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.588 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -87.16 -24.27 37.86 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.465 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 5.0 mm100 -90.82 -36.65 14.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 123' ' ' LEU . 18.0 t -57.28 -42.35 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.588 HD12 ' HA2' ' A' ' 125' ' ' GLY . 25.1 mt -41.48 -49.81 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.618 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -45.62 -58.33 3.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.58 ' O ' HG21 ' A' ' 110' ' ' THR . 23.3 mt -47.97 -40.06 21.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -68.15 -55.97 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.594 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -57.67 -56.87 16.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.648 HG13 ' CD2' ' A' ' 19' ' ' TYR . 69.4 t -48.23 -48.45 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.571 HD12 ' HG3' ' A' ' 138' ' ' LYS . 4.1 tp -52.0 -68.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -50.15 -33.8 20.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.284 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.44 ' HB3' ' CE1' ' A' ' 19' ' ' TYR . 8.8 mmt180 -63.49 -55.18 26.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 3.4 pt-20 -69.34 -25.91 64.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.571 ' HG3' HD12 ' A' ' 134' ' ' LEU . 10.1 mttm -51.3 -57.15 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 28.7 mmtm -43.37 -55.48 4.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 9.7 mtt-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HB3' ' NH1' ' A' ' 136' ' ' ARG . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 111.004 -0.421 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.907 HD21 ' OE1' ' A' ' 21' ' ' GLU . 3.0 tp -72.82 138.94 46.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.635 ' CD2' HG13 ' A' ' 133' ' ' VAL . 19.5 m-85 -119.47 -35.49 3.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -163.25 170.92 16.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.032 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.907 ' OE1' HD21 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -164.44 150.54 10.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.61 139.59 2.69 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -46.71 106.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 0.796 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.956 HD21 HD23 ' A' ' 93' ' ' LEU . 14.8 tp -106.91 152.34 24.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 35' ' ' GLU . 10.1 mt -106.03 134.9 48.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.167 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.2 mm -115.21 137.88 47.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.601 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.601 ' CD2' ' HB2' ' A' ' 27' ' ' LYS . 14.6 m-85 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.517 0.198 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.868 ' O ' HD23 ' A' ' 25' ' ' LEU . 2.7 pt-20 -97.78 148.45 23.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.34 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.663 ' CE1' HD21 ' A' ' 25' ' ' LEU . 27.0 m80 -103.88 101.14 10.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.621 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' A' ' 35' ' ' GLU . 42.2 m-85 -132.6 140.06 48.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -67.43 95.74 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 108.016 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.443 HG21 HD23 ' A' ' 24' ' ' LEU . 5.7 m -83.81 139.3 32.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -128.41 129.42 46.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.437 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.1 OUTLIER -90.89 119.05 30.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -138.56 126.69 22.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.42 -100.32 0.06 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.95 ' HB ' HG12 ' A' ' 64' ' ' VAL . 3.0 p -138.33 11.07 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.432 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.6 m -118.83 126.66 52.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 110.433 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.4 mt -82.82 135.92 34.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.231 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.417 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 88.1 m-85 -123.45 129.32 51.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.447 ' O ' HG12 ' A' ' 58' ' ' VAL . 3.2 m-85 -116.75 130.77 56.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.498 ' CD2' ' HA ' ' A' ' 57' ' ' TYR . 59.1 m-85 -124.17 161.63 25.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.574 HG23 ' HB ' ' A' ' 58' ' ' VAL . 55.9 p -81.94 -20.18 39.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -165.11 173.28 11.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -72.25 -28.64 63.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -72.54 -29.68 63.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.75 138.59 14.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.2 mt -107.42 -48.88 8.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mt -92.72 99.48 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.498 ' HA ' ' CD2' ' A' ' 49' ' ' TYR . 53.7 p90 -40.29 130.04 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.574 ' HB ' HG23 ' A' ' 50' ' ' THR . 12.7 p -58.45 -31.36 43.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -168.48 145.89 4.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.9 pttt -125.81 163.51 22.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.788 HD11 HG11 ' A' ' 91' ' ' VAL . 6.6 mt -132.5 166.32 22.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.79 130.5 36.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.694 HD12 ' CG2' ' A' ' 112' ' ' THR . 9.1 pt -131.44 14.91 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.95 HG12 ' HB ' ' A' ' 44' ' ' THR . 3.1 m -62.26 -24.56 35.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -108.1 13.87 25.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.57 ' HA ' HD23 ' A' ' 86' ' ' LEU . 2.7 tp -39.36 132.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -86.74 -32.87 20.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 171.56 -179.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 108.289 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.542 HD12 HD13 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -133.02 127.31 33.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.3 p -100.74 171.42 7.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.287 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 30.7 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.565 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -82.64 119.93 24.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.58 117.41 19.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.564 ' CE2' ' HG2' ' A' ' 105' ' ' ARG . 2.7 p90 -145.83 158.03 43.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 111.052 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.8 m -112.99 128.4 56.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.435 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.695 HD23 HD13 ' A' ' 93' ' ' LEU . 2.3 mm? -76.37 102.61 6.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.3 t -79.0 119.77 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 89' ' ' GLU . 4.5 mt -125.83 157.14 69.99 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.67 8.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 111.055 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.54 -56.88 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.608 ' O ' HD12 ' A' ' 86' ' ' LEU . 3.9 tt0 -157.83 151.56 23.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -94.46 131.25 40.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.788 HG11 HD11 ' A' ' 61' ' ' LEU . 60.0 t -119.45 139.49 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.848 ' O ' HD12 ' A' ' 93' ' ' LEU . 34.9 mt-30 -94.09 154.6 17.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.956 HD23 HD21 ' A' ' 24' ' ' LEU . 4.5 mp -141.57 139.1 33.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.88 141.71 42.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.503 HG22 ' CD1' ' A' ' 24' ' ' LEU . 41.6 p -116.44 162.96 16.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.374 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -78.55 -65.18 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.62 150.98 20.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.9 m -60.79 -41.37 95.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 100' ' ' SER . 43.4 tt0 -55.76 -60.53 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -38.37 -43.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.565 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -50.91 -64.66 3.59 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.495 ' OE2' HG12 ' A' ' 120' ' ' VAL . 0.9 OUTLIER -44.31 -43.43 7.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 110.306 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.615 ' OE1' ' CD2' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -52.86 -69.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.821 ' O ' HD12 ' A' ' 108' ' ' ILE . 94.5 m95 -49.16 -61.83 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 107.972 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.564 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -37.41 -58.22 0.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.33 -59.12 10.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.637 ' CE1' HG21 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -47.19 -45.12 22.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.763 . . . . 0.0 110.97 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.821 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.5 mp -64.78 -60.04 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 35.7 mt -45.57 -26.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.612 HG21 ' O ' ' A' ' 130' ' ' LEU . 62.4 m -81.34 -39.81 24.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.439 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.752 HG22 ' HA ' ' A' ' 108' ' ' ILE . 24.9 m -92.27 28.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.694 ' CG2' HD12 ' A' ' 63' ' ' ILE . 24.4 p -144.35 -46.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -84.79 -13.15 52.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 68.35 24.45 7.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 110' ' ' THR . 0.1 OUTLIER -144.03 -156.73 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.995 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 44.3 t -138.12 124.17 12.81 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 119.12 5.52 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -89.06 16.35 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -116.38 47.37 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.495 HG12 ' OE2' ' A' ' 102' ' ' GLU . 5.1 m -120.84 140.98 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.08 -8.12 59.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.455 ' HA ' HD12 ' A' ' 122' ' ' LEU . 1.8 tp -42.93 159.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.641 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.2 mm? -66.43 170.48 5.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.641 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -75.0 -8.71 20.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.79 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.613 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -96.15 -33.79 6.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 129' ' ' LYS . 4.1 mt-30 -73.16 -50.59 21.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 0.745 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 126' ' ' GLN . 2.1 t -40.55 -40.61 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.613 HD12 ' HA2' ' A' ' 125' ' ' GLY . 33.9 mt -50.67 -49.82 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 126' ' ' GLN . 6.6 mmmm -41.9 -56.49 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.612 ' O ' HG21 ' A' ' 110' ' ' THR . 12.3 mt -48.12 -42.96 30.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 128' ' ' ILE . 3.2 m-70 -63.27 -52.55 61.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.571 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -61.41 -60.16 4.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.637 HG21 ' CE1' ' A' ' 107' ' ' PHE . 48.1 t -42.38 -40.9 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.429 ' CD2' ' HA ' ' A' ' 115' ' ' SER . 3.4 tp -60.38 -72.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -43.88 -26.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.42 ' N ' ' C ' ' A' ' 134' ' ' LEU . 0.3 OUTLIER -68.62 -45.38 72.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.264 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 1.6 pt-20 -78.48 -30.34 47.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 26.4 mttm -50.23 -41.68 50.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -58.87 -61.9 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.915 0 N-CA-C 111.031 -0.411 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.588 HD21 ' OE2' ' A' ' 21' ' ' GLU . 23.1 tp -59.66 144.72 47.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.564 ' CG ' HG13 ' A' ' 133' ' ' VAL . 18.7 m-85 -130.55 -55.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.544 ' CG ' ' CE2' ' A' ' 107' ' ' PHE . 10.6 t80 -138.07 160.23 39.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.588 ' OE2' HD21 ' A' ' 18' ' ' LEU . 2.3 pm0 -152.33 138.64 18.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.25 132.58 1.69 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -44.64 98.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.746 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.724 HD21 ' CD2' ' A' ' 93' ' ' LEU . 18.0 tp -101.91 155.02 18.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.707 HD23 ' C ' ' A' ' 35' ' ' GLU . 5.7 mt -105.93 127.5 53.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.8 mm -118.33 134.22 62.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.572 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 3.3 tttt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.572 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 37.4 m-85 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.498 0.19 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.707 ' C ' HD23 ' A' ' 25' ' ' LEU . 45.3 mt-10 -127.75 145.17 51.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.29 123.74 33.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.56 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.456 ' CE1' HG22 ' A' ' 50' ' ' THR . 31.8 m-85 -144.56 141.81 29.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' TYR . 66.8 t-105 -65.62 86.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.6 HG23 ' CD1' ' A' ' 48' ' ' PHE . 91.0 m -82.32 139.16 34.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.379 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -132.19 133.28 44.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.568 HD21 HG21 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -91.3 121.51 33.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 44' ' ' THR . 89.2 mtt180 -137.69 126.96 24.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.89 -92.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.792 ' HB ' HG12 ' A' ' 64' ' ' VAL . 0.7 OUTLIER -145.2 17.47 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 0.738 . . . . 0.0 110.415 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 61' ' ' LEU . 18.2 m -119.92 128.39 53.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.179 . . . . 0.0 110.369 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 31.6 mt -84.59 112.86 20.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -101.39 119.32 38.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.168 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.6 ' CD1' HG23 ' A' ' 39' ' ' THR . 20.7 m-85 -104.29 128.7 52.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.475 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 78.5 m-85 -122.62 167.22 13.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.572 HG23 ' HB ' ' A' ' 58' ' ' VAL . 24.9 p -104.07 -29.29 10.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -161.06 171.18 19.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -30.75 54.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -61.66 -32.53 72.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.53 145.88 21.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.6 mt -97.52 -42.03 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -108.06 165.49 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.51 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 35.9 p90 -88.2 129.88 35.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.572 ' HB ' HG23 ' A' ' 50' ' ' THR . 11.7 p -48.5 -31.81 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -174.94 153.96 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 24.7 pttt -130.75 172.22 12.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.729 HD11 HG11 ' A' ' 91' ' ' VAL . 3.3 mt -132.97 -173.65 3.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -147.87 110.79 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.699 HG22 HD21 ' A' ' 86' ' ' LEU . 18.9 pt -125.21 24.65 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.792 HG12 ' HB ' ' A' ' 44' ' ' THR . 1.4 m -67.63 -40.26 83.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.68 24.61 6.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.579 ' HA ' HD23 ' A' ' 86' ' ' LEU . 1.4 tp -42.52 132.58 3.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.03 -36.68 19.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 172.17 -179.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 108.351 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.607 HD12 HD13 ' A' ' 84' ' ' LEU . 2.2 tt -132.42 126.27 32.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.1 p -96.25 175.13 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 94.1 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.472 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -108.75 117.17 33.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.14 116.69 20.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CD1' HD11 ' A' ' 69' ' ' LEU . 3.8 p90 -145.67 155.84 43.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.7 m -113.9 138.07 50.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.368 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.607 HD13 HD12 ' A' ' 69' ' ' LEU . 1.6 mm? -82.16 109.13 16.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 36.8 t -84.92 118.17 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.954 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.6 mt -123.61 157.16 63.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 0.45 8.91 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.519 1.799 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -114.62 -58.13 2.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.954 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.1 tt0 -158.14 149.93 21.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -90.5 155.3 19.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.729 HG11 HD11 ' A' ' 61' ' ' LEU . 53.6 t -139.11 138.08 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.407 ' O ' HD12 ' A' ' 93' ' ' LEU . 33.5 mt-30 -87.71 145.24 26.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.724 ' CD2' HD21 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -140.17 134.16 30.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -136.49 147.15 47.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.78 HG21 ' HA2' ' A' ' 101' ' ' GLY . 35.5 p -119.55 177.49 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -75.42 -44.55 43.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -146.97 161.72 40.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.1 m -45.43 -47.98 13.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.91 -74.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.251 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.5 m -44.08 -42.86 6.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.78 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -52.44 -58.26 11.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.438 ' OE2' HG12 ' A' ' 120' ' ' VAL . 0.9 OUTLIER -49.34 -41.45 38.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 0.779 . . . . 0.0 110.325 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.95 -68.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.827 ' O ' HD12 ' A' ' 108' ' ' ILE . 90.5 m95 -53.54 -59.73 4.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 108.035 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' TRP . 10.3 ttp180 -37.59 -57.01 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.18 -46.46 79.63 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.549 ' CZ ' ' HG2' ' A' ' 129' ' ' LYS . 0.2 OUTLIER -54.7 -42.18 71.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 111.019 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.827 HD12 ' O ' ' A' ' 104' ' ' TRP . 2.4 mp -68.56 -56.57 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 50.9 mt -46.2 -26.03 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.414 ' N ' ' C ' ' A' ' 108' ' ' ILE . 54.7 m -80.16 -40.55 27.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.708 HG22 ' HA ' ' A' ' 108' ' ' ILE . 34.4 m -92.4 30.34 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 24.0 p -146.2 -47.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.391 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -85.02 -11.18 55.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.7 mm? 64.15 25.21 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.364 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.474 ' HA ' HD22 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -142.98 -166.64 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 92.7 t -127.78 120.98 21.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.458 ' O ' HG22 ' A' ' 120' ' ' VAL . 18.2 Cg_endo -75.04 119.48 5.66 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.544 1.813 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -84.11 -15.26 47.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -90.23 61.44 5.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 117' ' ' PRO . 0.4 OUTLIER -129.04 151.58 35.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -12.61 60.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.477 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.1 OUTLIER -51.7 176.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.588 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -106.61 -174.19 0.31 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.588 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -75.02 -19.62 17.63 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.742 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -88.71 -18.65 54.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.467 1.104 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.477 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 0.7 OUTLIER -92.08 -36.5 13.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.753 . . . . 0.0 110.26 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.7 t -62.0 -27.09 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.742 HD12 ' HA2' ' A' ' 125' ' ' GLY . 49.9 mt -61.86 -40.95 88.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.549 ' HG2' ' CZ ' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -51.76 -60.05 3.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.431 ' CD2' ' HA ' ' A' ' 107' ' ' PHE . 68.6 mt -45.82 -55.26 6.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -43.11 -44.78 5.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.589 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -65.91 -55.33 17.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.564 HG13 ' CG ' ' A' ' 19' ' ' TYR . 97.3 t -51.19 -47.69 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.562 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.6 tp -51.93 -68.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -48.03 -30.82 4.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -52.99 52.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.274 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -71.67 -25.43 62.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.562 ' HG3' HD12 ' A' ' 134' ' ' LEU . 17.8 mttt -52.7 -52.14 57.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.42 -50.6 16.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.431 HD21 ' OE1' ' A' ' 21' ' ' GLU . 6.4 tp -64.58 137.56 57.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.725 ' CG ' HG13 ' A' ' 133' ' ' VAL . 25.0 m-85 -120.9 -36.97 3.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 55.8 t80 -160.94 151.56 18.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.431 ' OE1' HD21 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -139.09 161.21 37.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.45 131.07 1.2 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.524 1.14 . . . . 0.0 111.048 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -44.13 111.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.835 HD21 ' CD2' ' A' ' 93' ' ' LEU . 28.0 tp -114.5 156.45 24.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 34' ' ' TYR . 11.4 mt -104.71 128.21 52.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.409 ' CD1' ' CE1' ' A' ' 48' ' ' PHE . 12.0 mm -115.99 134.87 57.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.54 ' HE2' ' CD2' ' A' ' 34' ' ' TYR . 6.5 ttpt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.688 ' HB3' HD22 ' A' ' 25' ' ' LEU . 47.8 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.523 0.201 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.683 ' C ' HD23 ' A' ' 25' ' ' LEU . 71.0 mm-40 -109.39 140.37 43.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.593 ' CE1' HD21 ' A' ' 25' ' ' LEU . 72.5 m80 -86.7 104.09 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.585 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.519 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 33.0 m-85 -127.16 139.03 53.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -64.07 92.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 108.02 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.541 HG22 ' CH2' ' A' ' 104' ' ' TRP . 23.1 m -82.71 142.94 31.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.434 ' OE1' ' CE1' ' A' ' 49' ' ' TYR . 20.5 mt-10 -135.67 123.15 22.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.613 HD21 HG21 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -91.01 118.27 30.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.404 ' HG2' HD12 ' A' ' 18' ' ' LEU . 24.1 mtm180 -138.59 127.04 23.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.15 -103.84 0.39 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.0 p -139.67 28.23 2.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 0.761 . . . . 0.0 110.377 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 61' ' ' LEU . 2.4 m -133.04 125.77 30.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.366 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.8 mt -79.01 119.35 22.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -105.64 134.0 49.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.412 ' O ' HG12 ' A' ' 58' ' ' VAL . 24.2 m-85 -118.68 129.46 55.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 56' ' ' ILE . 47.1 m-85 -118.06 156.3 28.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.473 HG23 ' HB2' ' A' ' 54' ' ' SER . 76.6 p -60.03 -51.89 67.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.414 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -157.58 -51.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.7 tttt 176.34 -36.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.406 ' O ' ' CG1' ' A' ' 55' ' ' ILE . 63.7 mmtt -85.28 8.63 17.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -59.28 -21.53 59.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.528 ' HB ' HD12 ' A' ' 56' ' ' ILE . 0.6 OUTLIER 67.81 -65.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.697 HG22 ' HD1' ' A' ' 57' ' ' TYR . 4.4 mp -92.32 -113.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.697 ' HD1' HG22 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -162.89 149.26 12.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 48' ' ' PHE . 5.5 p -82.1 -33.48 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.73 160.89 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.426 ' HD2' HG21 ' A' ' 45' ' ' THR . 6.3 pttt -139.01 175.64 9.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 45' ' ' THR . 11.7 mt -148.89 160.63 43.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -121.56 127.57 51.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.809 HD12 ' CG2' ' A' ' 112' ' ' THR . 10.3 pt -125.79 20.46 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.9 p -68.54 -32.24 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.6 19.43 20.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.661 ' HA ' HD23 ' A' ' 86' ' ' LEU . 1.1 tp -45.87 126.93 7.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -78.38 -46.4 20.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.1 m -175.8 -178.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 108.307 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.506 HD12 HD13 ' A' ' 84' ' ' LEU . 1.2 tt -131.53 126.9 36.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.401 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 36.8 p -101.37 171.84 7.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.409 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.41 129.47 35.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -135.94 113.32 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.482 ' CD1' HD11 ' A' ' 69' ' ' LEU . 4.3 p90 -144.01 154.62 43.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 91' ' ' VAL . 2.3 m -113.59 140.03 48.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.426 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 84' ' ' LEU . 1.3 mm? -85.27 114.39 22.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.5 t -93.06 118.44 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.661 HD23 ' HA ' ' A' ' 66' ' ' LEU . 4.0 mt -123.69 156.53 64.72 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.29 9.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -112.49 -55.46 2.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.599 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.0 tt0 -159.39 150.72 20.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -95.67 143.44 26.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.607 ' O ' HG23 ' A' ' 83' ' ' THR . 74.6 t -126.89 152.17 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -102.75 134.09 46.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.835 ' CD2' HD21 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -126.35 151.61 47.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.252 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.503 ' HE2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -154.02 141.99 20.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.655 HG21 ' HA2' ' A' ' 101' ' ' GLY . 39.6 p -112.06 157.5 20.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.97 -63.77 1.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -96.04 139.11 32.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -44.07 -42.4 6.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -51.94 -60.18 3.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.77 -39.08 1.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.014 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.655 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -54.09 -68.35 1.7 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.43 -37.34 16.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.78 . . . . 0.0 110.269 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.99 -67.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.838 ' O ' HD12 ' A' ' 108' ' ' ILE . 95.6 m95 -54.37 -62.19 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 108.027 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -38.19 -48.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.62 -61.27 3.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 20' ' ' PHE . 5.9 m-85 -43.64 -45.1 6.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.838 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.8 mp -65.22 -62.19 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.3 mt -45.24 -25.43 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.546 HG21 ' O ' ' A' ' 130' ' ' LEU . 99.1 m -81.14 -41.01 23.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.427 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.635 HG22 ' HA ' ' A' ' 108' ' ' ILE . 26.9 m -91.64 30.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.809 ' CG2' HD12 ' A' ' 63' ' ' ILE . 23.7 p -147.99 -44.88 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.444 ' C ' ' N ' ' A' ' 115' ' ' SER . 7.4 mt-10 -97.16 9.64 41.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.559 HD12 ' OE2' ' A' ' 137' ' ' GLU . 4.5 mp 40.04 29.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.444 ' N ' ' C ' ' A' ' 113' ' ' GLU . 5.5 t -140.86 168.36 19.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.056 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.482 HG13 ' HB2' ' A' ' 130' ' ' LEU . 56.3 t -110.5 118.08 49.68 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.12 5.94 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.489 1.784 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.1 -12.84 40.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -85.9 48.94 1.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 32.8 m -122.24 -177.84 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 122' ' ' LEU . 0.1 OUTLIER -120.9 -3.44 9.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.962 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.698 HD22 ' CB ' ' A' ' 126' ' ' GLN . 3.3 mt -45.94 171.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.767 HD22 ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -97.03 -178.69 0.77 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.552 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.08 -9.07 20.51 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -93.31 -30.7 8.98 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.549 1.156 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.698 ' CB ' HD22 ' A' ' 122' ' ' LEU . 21.7 mm100 -86.81 -60.15 2.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.73 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.494 ' C ' ' O ' ' A' ' 126' ' ' GLN . 15.0 t -33.59 -51.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 124' ' ' PRO . 68.4 mt -41.58 -54.84 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 126' ' ' GLN . 7.4 mmmm -38.06 -59.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.546 ' O ' HG21 ' A' ' 110' ' ' THR . 5.3 mt -44.36 -48.83 9.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 128' ' ' ILE . 1.8 m-70 -57.35 -62.06 2.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.591 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -54.21 -60.37 3.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.725 HG13 ' CG ' ' A' ' 19' ' ' TYR . 74.7 t -44.21 -46.78 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.479 HD23 HG23 ' A' ' 116' ' ' VAL . 3.2 tp -54.98 -73.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -48.5 -22.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -52.35 23.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 110.251 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.559 ' OE2' HD12 ' A' ' 114' ' ' LEU . 9.8 pt-20 -73.13 -37.76 66.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 32.4 mttt -42.76 -49.29 5.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.99 -52.29 64.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 4.3 ttp85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.338 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 tp -64.24 138.67 58.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.797 ' CG ' HG13 ' A' ' 133' ' ' VAL . 17.6 m-85 -125.07 -40.3 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.554 ' HB2' ' CE2' ' A' ' 107' ' ' PHE . 7.6 t80 -161.56 149.2 14.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.04 141.41 36.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.17 143.39 4.5 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -54.2 104.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 0.743 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.771 HD21 HD23 ' A' ' 93' ' ' LEU . 14.0 tp -102.25 153.01 20.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.71 HD23 ' O ' ' A' ' 35' ' ' GLU . 13.7 mt -104.81 120.94 42.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.7 mm -113.14 131.91 63.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.652 ' HB3' HD22 ' A' ' 25' ' ' LEU . 47.7 m-85 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.487 0.184 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.71 ' O ' HD23 ' A' ' 25' ' ' LEU . 13.4 mm-40 -110.38 144.37 39.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.537 ' CE1' HD21 ' A' ' 25' ' ' LEU . 73.7 m80 -89.07 117.04 27.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.593 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.463 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 33.0 m-85 -133.79 138.22 45.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -68.46 85.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 107.988 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.424 HG22 ' CH2' ' A' ' 104' ' ' TRP . 3.6 m -82.02 146.8 29.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.412 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -135.24 127.69 30.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.567 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.8 OUTLIER -90.77 122.7 33.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.355 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.41 ' N ' HD23 ' A' ' 41' ' ' LEU . 17.5 mtp180 -142.94 127.69 18.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.23 -96.31 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.6 p -147.33 21.14 1.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 110.384 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 m -124.55 116.24 22.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.443 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.2 mt -74.73 117.37 16.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.557 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 67.4 m-85 -106.06 132.97 51.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.413 ' CE2' HD12 ' A' ' 61' ' ' LEU . 6.7 m-85 -118.45 143.89 46.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 47' ' ' PHE . 39.1 m-85 -144.42 139.24 28.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.45 HG23 ' HB ' ' A' ' 58' ' ' VAL . 5.1 p -48.83 -37.21 18.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.4 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.44 -164.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -64.43 -44.68 90.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' SER . 3.8 mmmm -50.58 -23.44 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.465 ' CB ' ' HB3' ' A' ' 49' ' ' TYR . 88.0 p -38.85 118.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.81 -56.19 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 64.2 mt -107.66 -81.91 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER 179.36 148.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.45 ' HB ' HG23 ' A' ' 50' ' ' THR . 13.1 p -85.56 -31.96 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.502 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . 0.7 OUTLIER 174.62 169.26 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -149.36 167.42 26.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.413 HD12 ' CE2' ' A' ' 48' ' ' PHE . 12.7 mt -138.05 176.74 8.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -135.82 133.55 37.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.64 HD12 HG23 ' A' ' 108' ' ' ILE . 12.1 pt -130.16 15.86 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.75 -40.26 83.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.52 18.72 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.519 ' HA ' HD23 ' A' ' 86' ' ' LEU . 1.3 tp -48.7 128.48 15.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.478 ' HB ' HG12 ' A' ' 85' ' ' VAL . 1.1 m -80.01 -33.04 39.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 169.66 -177.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 108.342 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.728 HD12 HD13 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -137.95 131.55 31.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 71' ' ' GLU . 9.1 t -117.08 -169.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.417 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.45 ' N ' ' OG1' ' A' ' 70' ' ' THR . 8.6 mt-10 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.275 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.36 114.25 13.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -133.73 114.87 13.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.482 ' CD1' HD11 ' A' ' 69' ' ' LEU . 4.1 p90 -144.8 157.77 44.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 91' ' ' VAL . 3.0 m -116.76 139.52 50.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.728 HD13 HD12 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -87.1 114.14 23.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.478 HG12 ' HB ' ' A' ' 67' ' ' THR . 46.7 t -88.22 117.81 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.736 HD12 ' O ' ' A' ' 89' ' ' GLU . 2.9 mt -121.98 156.82 59.16 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.21 9.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.462 1.769 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -113.03 -58.36 2.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.736 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.2 tt0 -156.03 148.51 23.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.81 134.02 34.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 83' ' ' THR . 73.6 t -115.69 148.17 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -104.99 140.13 38.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.771 HD23 HD21 ' A' ' 24' ' ' LEU . 1.9 mp -130.47 146.74 52.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.97 147.4 31.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.7 p -127.47 152.9 46.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -100.23 46.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 168.14 155.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 95.6 m -81.08 -25.97 36.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.438 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -63.88 -65.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.0 m -58.48 -31.42 67.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.958 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.93 -54.9 32.0 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.522 ' HB3' HD13 ' A' ' 122' ' ' LEU . 2.2 mt-10 -66.3 -37.81 86.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 0.728 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.601 ' OE1' ' CD2' ' A' ' 107' ' ' PHE . 0.1 OUTLIER -52.9 -66.34 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.827 ' O ' HD12 ' A' ' 108' ' ' ILE . 88.9 m95 -52.33 -64.59 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 108.05 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 104' ' ' TRP . 9.5 ttp180 -37.33 -42.71 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.68 -67.77 1.78 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.679 ' CE1' HG21 ' A' ' 133' ' ' VAL . 1.4 m-85 -42.42 -40.99 2.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.763 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.827 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.6 mp -65.25 -60.48 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 51.2 mt -44.65 -26.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 115' ' ' SER . 91.8 m -80.1 -42.52 23.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.454 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.648 HG22 ' HA ' ' A' ' 108' ' ' ILE . 27.3 m -90.1 29.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 63' ' ' ILE . 19.3 p -142.87 -45.59 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.442 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -88.71 -17.03 30.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 73.68 22.24 2.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.671 ' O ' HG23 ' A' ' 110' ' ' THR . 1.2 t -141.67 -157.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.6 HG13 ' HB2' ' A' ' 130' ' ' LEU . 38.9 t -137.37 127.86 15.87 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 115.72 4.36 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -89.17 -18.18 27.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -93.64 27.05 2.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.563 HG22 ' H ' ' A' ' 121' ' ' SER . 0.6 OUTLIER -82.3 -171.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.563 ' H ' HG22 ' A' ' 120' ' ' VAL . 0.4 OUTLIER -116.17 -28.82 6.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.959 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.522 HD13 ' HB3' ' A' ' 102' ' ' GLU . 1.5 tp -40.02 158.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.648 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.2 mm? -65.41 170.88 3.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.648 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.5 Cg_endo -75.03 -8.37 19.98 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.767 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -96.51 -33.89 6.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 129' ' ' LYS . 4.3 mt-30 -72.74 -48.44 38.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 110.308 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 t -43.25 -35.56 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.767 HD12 ' HA2' ' A' ' 125' ' ' GLY . 24.2 mt -52.89 -45.14 50.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 126' ' ' GLN . 5.2 mmmm -46.5 -52.03 14.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.604 HD22 ' HA ' ' A' ' 107' ' ' PHE . 5.5 mt -53.16 -46.61 68.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.401 ' HA ' HG21 ' A' ' 116' ' ' VAL . 6.4 m-70 -53.58 -52.94 58.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.56 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -66.75 -58.4 5.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.797 HG13 ' CG ' ' A' ' 19' ' ' TYR . 39.5 t -44.82 -36.79 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.402 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 5.6 tp -59.23 -70.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 138' ' ' LYS . 2.5 pt-20 -43.39 -36.44 1.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 1.7 mpt_? -58.89 -60.35 4.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.47 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 0.9 OUTLIER -63.69 -26.79 68.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.47 ' N ' ' HG2' ' A' ' 137' ' ' GLU . 15.1 mttm -52.58 -57.83 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 138' ' ' LYS . 12.7 mmtt -39.82 -46.97 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 15.2 ttp85 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HB3' ' NH1' ' A' ' 136' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.471 HD21 ' CD ' ' A' ' 21' ' ' GLU . 15.5 tp -57.28 149.41 20.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.634 ' CG ' HG13 ' A' ' 133' ' ' VAL . 21.6 m-85 -129.53 -46.5 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.521 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 9.8 t80 -150.95 150.65 31.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.471 ' CD ' HD21 ' A' ' 18' ' ' LEU . 9.3 pm0 -147.25 144.88 29.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.54 131.88 1.37 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -41.04 102.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 0.715 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.757 HD21 ' CD2' ' A' ' 93' ' ' LEU . 21.6 tp -108.07 149.1 28.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.009 HD21 ' CD2' ' A' ' 36' ' ' HIS . 11.3 mt -100.87 130.23 46.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.2 mm -113.31 130.47 67.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.564 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 9.7 tttt . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.585 ' HB3' HD22 ' A' ' 25' ' ' LEU . 60.0 m-85 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.531 0.205 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.534 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 38.7 mm-40 -101.89 135.81 42.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 1.009 ' CD2' HD21 ' A' ' 25' ' ' LEU . 11.3 m80 -88.25 120.53 29.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.632 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 29.8 m-85 -150.31 136.18 18.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' TYR . 70.6 t-105 -61.42 89.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 108.012 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.546 HG23 ' CD1' ' A' ' 48' ' ' PHE . 53.1 m -82.47 135.49 35.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.424 ' OE1' ' NH2' ' A' ' 42' ' ' ARG . 20.5 mt-10 -126.21 127.98 46.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.341 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -91.3 119.32 31.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.424 ' NH2' ' OE1' ' A' ' 40' ' ' GLU . 29.8 mtt180 -137.65 128.38 26.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 49.85 -95.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.411 HG22 ' HB ' ' A' ' 111' ' ' VAL . 7.1 p -144.65 23.78 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.1 m -126.94 119.85 27.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.8 mt -79.02 119.13 21.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -110.15 118.78 37.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.546 ' CD1' HG23 ' A' ' 39' ' ' THR . 10.1 m-85 -102.16 138.01 39.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.536 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 70.8 m-85 -132.19 168.54 17.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.8 p -79.22 -47.74 15.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 110.375 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.54 -70.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.12 -59.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.35 -31.96 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -50.58 120.63 4.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.4 mm -84.91 -50.81 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' TYR . 15.2 mm -90.67 97.57 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.536 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 49.5 p90 -37.42 133.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.4 p -55.86 -45.06 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.358 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -158.18 160.92 37.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -143.03 168.62 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 61' ' ' LEU . 11.9 mt -147.29 159.49 43.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -125.93 127.73 46.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.67 HD12 HG23 ' A' ' 108' ' ' ILE . 27.4 pt -126.46 25.96 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.3 p -69.41 -40.88 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.08 20.17 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.504 HD13 HD12 ' A' ' 84' ' ' LEU . 5.4 tp -51.2 130.88 27.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.1 m -81.27 -35.37 31.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 175.44 -173.82 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.522 HD12 HD13 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -131.69 129.95 41.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.5 p -105.83 168.21 9.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 77.1 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.58 127.45 33.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -136.02 114.48 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.521 ' CD1' HD11 ' A' ' 69' ' ' LEU . 7.1 p90 -139.09 156.79 46.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.9 m -114.63 145.13 42.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.445 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.605 HD22 ' N ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -90.67 102.07 14.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.247 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.9 t -76.92 103.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.903 HD12 ' O ' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -110.9 156.15 41.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 1.16 8.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.488 1.783 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -113.72 -59.16 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.903 ' O ' HD12 ' A' ' 86' ' ' LEU . 5.3 tt0 -155.94 149.35 24.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -88.86 144.2 26.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.4 t -132.59 138.13 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -92.83 148.43 22.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.757 ' CD2' HD21 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -136.16 133.6 37.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -144.0 141.65 30.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.645 HG22 ' CD1' ' A' ' 24' ' ' LEU . 10.0 p -114.01 -165.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.386 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.86 -68.65 0.79 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.362 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -89.07 166.44 13.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.8 m -70.55 -46.04 64.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.409 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -51.77 -64.41 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 m -42.23 -32.47 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.97 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.409 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -56.11 -63.3 5.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.145 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -53.41 -33.3 53.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 0.763 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.521 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 2.5 tt0 -52.97 -66.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.825 ' O ' HD12 ' A' ' 108' ' ' ILE . 77.3 m95 -53.16 -65.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -37.67 -41.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.37 -62.22 4.8 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.659 ' HA ' HD22 ' A' ' 130' ' ' LEU . 4.9 m-85 -52.32 -39.06 60.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 110.978 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.825 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.6 mp -65.1 -61.45 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.8 mt -44.46 -26.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 134' ' ' LEU . 64.3 m -79.15 -44.17 22.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.371 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.542 HG22 ' HA ' ' A' ' 108' ' ' ILE . 20.6 m -88.68 30.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.406 HG21 HD22 ' A' ' 66' ' ' LEU . 25.1 p -145.64 -45.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.368 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -86.79 -16.16 37.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.248 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.3 mm? 70.88 18.83 5.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' A' ' 110' ' ' THR . 0.1 OUTLIER -145.96 176.91 9.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.979 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.61 HG13 ' HB2' ' A' ' 130' ' ' LEU . 37.8 t -107.9 126.57 29.5 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.522 1.801 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -89.37 -17.65 28.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.359 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -92.55 23.06 4.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.565 HG22 ' H ' ' A' ' 121' ' ' SER . 0.7 OUTLIER -78.98 -171.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.565 ' H ' HG22 ' A' ' 120' ' ' VAL . 0.3 OUTLIER -116.97 -31.61 5.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.014 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 122' ' ' LEU . 1.2 tp -40.12 159.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.622 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.4 mm? -66.44 169.86 6.7 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.622 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.2 Cg_endo -75.0 -7.05 18.81 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.492 1.785 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.826 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -97.02 -35.17 5.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -73.21 -43.49 61.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 0.735 . . . . 0.0 110.242 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.9 -38.71 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.826 HD12 ' HA2' ' A' ' 125' ' ' GLY . 14.3 mt -47.53 -41.87 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -49.03 -50.39 36.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.659 HD22 ' HA ' ' A' ' 107' ' ' PHE . 9.9 mt -55.53 -47.21 76.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.477 ' HA ' HG21 ' A' ' 116' ' ' VAL . 9.2 m-70 -50.12 -56.58 10.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.616 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.91 -55.9 12.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.65 HG21 ' CE1' ' A' ' 107' ' ' PHE . 32.2 t -48.14 -35.07 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.533 HD11 ' HD3' ' A' ' 138' ' ' LYS . 4.8 tp -61.59 -74.93 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.417 ' O ' ' CD ' ' A' ' 139' ' ' LYS . 33.6 mt-10 -44.34 -25.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.416 ' N ' ' C ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -64.85 -38.34 90.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.536 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 1.2 pt-20 -88.77 -31.43 18.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.536 ' N ' ' HG2' ' A' ' 137' ' ' GLU . 6.6 mtmp? -53.62 -32.6 51.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.417 ' CD ' ' O ' ' A' ' 135' ' ' GLU . 1.7 mptt -63.88 -49.19 73.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 48.1 mtp85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.469 ' CG ' ' HD2' ' A' ' 136' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.77 HD12 ' CG ' ' A' ' 42' ' ' ARG . 4.7 tp -74.67 144.48 43.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.52 ' CD2' HG13 ' A' ' 133' ' ' VAL . 22.2 m-30 -116.82 -40.47 3.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 103' ' ' GLU . 9.7 t80 -158.37 156.18 30.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -152.09 132.92 14.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.545 ' HA2' ' CZ3' ' A' ' 38' ' ' TRP . . . 178.72 157.17 18.79 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.599 ' CD1' ' CE1' ' A' ' 36' ' ' HIS . 5.1 m-85 -70.85 100.8 1.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 0.721 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.687 HD21 HD23 ' A' ' 93' ' ' LEU . 7.6 tp -99.55 157.02 16.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.568 HD22 ' HB3' ' A' ' 34' ' ' TYR . 13.0 mt -108.21 124.85 50.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 mm -113.59 143.73 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HD3' ' CD2' ' A' ' 34' ' ' TYR . 24.0 ttpt . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.568 ' HB3' HD22 ' A' ' 25' ' ' LEU . 31.1 m-85 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.543 0.211 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 54.9 mt-10 -105.76 128.0 53.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.599 ' CE1' ' CD1' ' A' ' 23' ' ' PHE . 55.3 t-80 -71.85 119.2 15.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.605 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 32.5 m-85 -145.71 139.85 26.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.545 ' CZ3' ' HA2' ' A' ' 22' ' ' GLY . 60.8 t-105 -66.42 88.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.9 m -81.58 120.27 24.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -113.99 129.26 56.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 107' ' ' PHE . 0.2 OUTLIER -91.14 124.25 35.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.77 ' CG ' HD12 ' A' ' 18' ' ' LEU . 7.2 mtt180 -153.51 126.84 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 42' ' ' ARG . . . 34.71 67.03 0.28 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.699 HG22 ' HB ' ' A' ' 111' ' ' VAL . 6.2 p 40.16 58.62 2.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 110.35 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.9 m -157.07 102.61 1.98 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.43 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.3 mt -72.77 107.92 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -99.11 118.82 36.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.675 ' CZ ' HD12 ' A' ' 61' ' ' LEU . 8.1 m-85 -98.59 132.23 44.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 57' ' ' TYR . 61.0 m-85 -129.75 159.51 36.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.1 p -71.04 -35.3 71.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.89 -71.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.8 tttt -171.71 -61.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.366 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.58 -40.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.7 t -40.91 120.71 1.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -81.96 -54.93 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' TYR . 38.4 mm -87.94 93.99 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 37.1 p90 -37.91 136.69 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 48' ' ' PHE . 13.1 p -53.28 -32.77 19.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.07 157.63 1.87 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.437 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 8.0 pttt -136.07 159.16 42.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.675 HD12 ' CZ ' ' A' ' 48' ' ' PHE . 2.9 mt -127.99 168.52 15.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.54 130.14 51.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.419 ' O ' HG22 ' A' ' 112' ' ' THR . 1.2 pp -142.97 53.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.8 p -103.94 -32.31 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.31 15.39 23.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.68 ' HA ' HD23 ' A' ' 86' ' ' LEU . 11.3 tp -40.67 134.72 1.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.11 -33.27 20.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 174.13 -171.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.403 HD11 ' CD1' ' A' ' 82' ' ' PHE . 1.3 tt -137.06 126.94 25.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.509 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 24.9 p -102.52 169.26 8.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 60.8 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.401 ' O ' ' OG1' ' A' ' 95' ' ' THR . . . -102.86 115.15 30.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -126.12 115.9 20.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.509 ' CB ' ' O ' ' A' ' 70' ' ' THR . 4.2 p90 -145.92 156.64 43.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 91' ' ' VAL . 2.9 m -111.0 138.29 47.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.416 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.734 HD23 HD13 ' A' ' 93' ' ' LEU . 1.2 mm? -85.55 104.34 15.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.1 t -81.65 118.91 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.68 HD23 ' HA ' ' A' ' 66' ' ' LEU . 5.7 mt -121.64 157.76 55.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 2.09 7.02 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -114.48 -57.56 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 8.8 tt0 -154.27 156.47 37.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 7.6 mt-10 -94.92 132.12 40.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.261 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.674 ' O ' HG23 ' A' ' 83' ' ' THR . 55.6 t -115.08 150.01 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -101.4 138.8 37.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.734 HD13 HD23 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -135.33 134.34 39.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -135.62 145.98 47.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 80' ' ' ALA . 2.9 p -122.76 146.03 47.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.412 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -102.66 44.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 176.31 165.02 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.8 p -85.58 -46.9 10.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.55 -57.03 14.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.29 -34.46 33.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.37 -62.81 5.61 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -53.88 -34.57 59.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 110.337 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -58.01 -68.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.265 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.793 ' O ' HD12 ' A' ' 108' ' ' ILE . 98.5 m95 -56.28 -63.25 1.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 107.991 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 104' ' ' TRP . 4.4 ttp180 -38.11 -33.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.61 -69.47 1.38 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.547 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 10.7 m-85 -38.46 -40.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.78 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.793 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.7 mp -66.26 -62.77 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.1 mt -43.46 -26.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.547 HG21 ' O ' ' A' ' 130' ' ' LEU . 62.9 m -79.89 -43.43 22.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.455 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.699 ' HB ' HG22 ' A' ' 44' ' ' THR . 23.2 m -88.83 29.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.513 HG21 HD22 ' A' ' 66' ' ' LEU . 12.3 p -144.76 -44.18 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.393 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 114' ' ' LEU . 7.3 mt-10 -102.88 12.43 36.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.485 ' HA ' HD12 ' A' ' 114' ' ' LEU . 1.6 tp 37.32 34.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.429 ' N ' ' C ' ' A' ' 113' ' ' GLU . 0.6 OUTLIER -141.3 173.95 11.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.639 HG13 ' HB2' ' A' ' 130' ' ' LEU . 45.8 t -116.0 119.56 36.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 139.75 24.55 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.68 -5.88 18.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -92.22 29.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 17.7 m -107.05 139.21 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 122' ' ' LEU . 0.6 OUTLIER -82.61 6.71 16.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.803 HD22 ' CB ' ' A' ' 126' ' ' GLN . 3.0 mt -50.2 -177.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.591 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -110.35 -174.14 0.28 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.682 ' O ' HD12 ' A' ' 128' ' ' ILE . 18.2 Cg_endo -74.99 -19.21 18.1 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.476 1.777 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.2 -34.01 13.39 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.803 ' CB ' HD22 ' A' ' 122' ' ' LEU . 16.6 mm100 -81.74 -61.7 1.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 0.772 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.479 ' C ' ' O ' ' A' ' 126' ' ' GLN . 24.3 t -34.19 -55.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.682 HD12 ' O ' ' A' ' 124' ' ' PRO . 53.6 mt -40.4 -54.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.475 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 10.5 mmmm -38.55 -55.99 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.639 ' HB2' HG13 ' A' ' 116' ' ' VAL . 3.7 mt -47.47 -47.38 27.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 128' ' ' ILE . 2.0 m-70 -58.71 -57.32 13.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.613 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -57.61 -59.84 4.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.607 HG12 ' OE1' ' A' ' 137' ' ' GLU . 55.9 t -43.56 -47.19 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.403 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.1 tp -52.12 -72.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.77 -34.31 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.469 ' HD2' ' CG ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -60.93 -66.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.607 ' OE1' HG12 ' A' ' 133' ' ' VAL . 1.2 pt-20 -59.95 -26.25 65.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.449 ' N ' ' HG2' ' A' ' 137' ' ' GLU . 18.0 mttm -52.14 -63.2 1.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -44.95 -50.66 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.794 HD21 ' CD ' ' A' ' 21' ' ' GLU . 9.2 tp -62.33 137.46 58.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.597 ' CG ' HG13 ' A' ' 133' ' ' VAL . 22.3 m-85 -116.82 -38.22 3.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 103' ' ' GLU . 7.3 t80 -158.44 151.77 23.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.794 ' CD ' HD21 ' A' ' 18' ' ' LEU . 12.2 pm0 -150.02 138.49 20.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.97 132.21 1.58 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 111.027 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -41.87 98.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.855 HD11 HG22 ' A' ' 95' ' ' THR . 8.9 tp -101.28 157.99 16.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.683 HD21 ' CE1' ' A' ' 36' ' ' HIS . 11.8 mt -113.21 129.68 56.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 34' ' ' TYR . 12.9 mm -118.06 137.5 51.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.594 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 18.3 ttpt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.594 ' CE1' ' HB2' ' A' ' 27' ' ' LYS . 17.2 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.504 0.193 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.569 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 11.8 mm-40 -113.88 126.63 55.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.683 ' CE1' HD21 ' A' ' 25' ' ' LEU . 77.1 m80 -70.03 130.16 41.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 17.0 m-85 -158.47 133.16 8.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.422 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 43.7 t-105 -61.6 86.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.529 HG23 ' CD1' ' A' ' 48' ' ' PHE . 90.2 m -82.6 137.34 34.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.573 ' HB2' HD11 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -139.44 140.54 37.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.579 HD22 ' HD2' ' A' ' 19' ' ' TYR . 0.9 OUTLIER -90.39 119.04 30.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.54 ' O ' ' C ' ' A' ' 43' ' ' GLY . 20.3 mtt180 -135.42 126.26 27.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 42' ' ' ARG . . . 25.07 81.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.928 HG22 ' HB ' ' A' ' 111' ' ' VAL . 71.0 p 32.92 60.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.788 . . . . 0.0 110.398 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.865 HG22 ' CE2' ' A' ' 47' ' ' PHE . 1.4 m -167.61 106.18 0.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.1 mt -74.56 127.09 32.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.865 ' CE2' HG22 ' A' ' 45' ' ' THR . 46.8 m-85 -115.77 118.01 31.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.782 ' O ' HG12 ' A' ' 58' ' ' VAL . 10.9 m-85 -95.77 115.96 28.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.548 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 64.6 m-85 -110.73 167.28 10.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.4 p -81.54 -23.36 37.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.413 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 38' ' ' TRP . 8.6 m-20 -176.81 -81.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -161.84 -59.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -41.44 -33.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.8 t -46.75 126.57 8.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.7 mt -79.56 -45.0 23.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.571 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.2 pp -113.77 127.92 70.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.548 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 35.0 p90 -55.55 136.86 49.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.782 HG12 ' O ' ' A' ' 48' ' ' PHE . 12.4 p -54.47 -31.41 23.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -176.33 158.28 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -137.17 164.76 27.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.457 ' CD1' HG11 ' A' ' 91' ' ' VAL . 6.6 mt -139.01 150.69 46.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.03 134.52 50.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.3 pt -129.44 15.69 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.6 -34.36 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.2 14.15 21.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.571 ' HA ' HD23 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -42.23 131.83 3.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -85.84 -30.98 22.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.437 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 168.98 -178.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 108.31 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.81 132.31 51.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.9 p -107.78 170.94 7.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.438 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 67.0 m . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.15 113.71 12.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -136.72 122.26 19.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -149.86 156.46 41.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 m -112.25 139.96 47.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 84' ' ' LEU . 1.2 mm? -86.37 115.11 23.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.8 t -92.97 118.63 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 89' ' ' GLU . 5.8 mt -123.89 157.73 62.31 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 1.67 7.5 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.963 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.27 -59.04 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.586 ' O ' HD12 ' A' ' 86' ' ' LEU . 10.1 tt0 -154.92 150.43 27.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -95.23 131.26 41.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.457 HG11 ' CD1' ' A' ' 61' ' ' LEU . 92.7 t -116.55 143.83 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -94.88 149.54 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.576 HD23 HD21 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -136.89 138.47 40.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -147.05 133.5 19.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.855 HG22 HD11 ' A' ' 24' ' ' LEU . 17.6 p -109.85 -177.24 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.42 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.05 -62.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -85.88 122.05 29.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.6 m -39.3 -48.5 1.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.414 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -53.04 -54.62 32.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.65 -35.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.74 -57.16 20.87 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -50.6 -32.57 19.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.622 ' OE1' ' CD2' ' A' ' 107' ' ' PHE . 0.5 OUTLIER -63.37 -67.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.87 ' O ' HD12 ' A' ' 108' ' ' ILE . 91.9 m95 -53.26 -61.96 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 104' ' ' TRP . 8.0 ttt180 -37.04 -51.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.9 -69.67 1.25 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.69 ' CE1' HG21 ' A' ' 133' ' ' VAL . 1.8 m-85 -39.36 -44.49 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.87 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.9 mp -68.06 -59.91 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.456 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 22.8 mt -46.19 -21.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.938 HG23 ' O ' ' A' ' 115' ' ' SER . 94.7 m -83.75 -58.77 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 110.415 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.928 ' HB ' HG22 ' A' ' 44' ' ' THR . 12.7 m -62.72 -11.33 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 108' ' ' ILE . 32.8 p -99.27 -59.98 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -69.58 -22.95 63.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 110.343 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 110' ' ' THR . 0.2 OUTLIER 78.29 15.34 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.938 ' O ' HG23 ' A' ' 110' ' ' THR . 0.1 OUTLIER -138.33 -158.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 97.2 t -127.53 122.64 22.79 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 135.79 19.53 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.525 1.802 . . . . 0.0 110.954 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.71 -8.77 42.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.35 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -89.62 52.98 2.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 19.1 m -127.49 135.15 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.23 -3.93 56.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.002 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.505 ' HA ' HD12 ' A' ' 122' ' ' LEU . 1.6 tp -47.35 160.62 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.616 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.2 mm? -64.9 169.56 5.26 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.616 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.03 -8.31 19.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.737 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -96.65 -34.45 5.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -73.31 -43.45 60.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.06 -33.44 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.737 HD12 ' HA2' ' A' ' 125' ' ' GLY . 34.9 mt -54.43 -47.49 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -44.17 -54.68 5.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.445 HD23 ' CD1' ' A' ' 107' ' ' PHE . 50.0 mt -48.68 -41.51 31.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -66.47 -41.3 89.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.596 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -69.45 -53.9 16.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.69 HG21 ' CE1' ' A' ' 107' ' ' PHE . 62.8 t -51.81 -42.0 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.566 HD12 ' HG3' ' A' ' 138' ' ' LYS . 5.6 tp -55.92 -65.75 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -50.31 -32.06 16.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.57 -61.82 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 1.1 pt-20 -64.24 -25.3 68.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.566 ' HG3' HD12 ' A' ' 134' ' ' LEU . 11.6 mttm -51.13 -56.99 9.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -44.48 -52.43 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.472 ' O ' ' O ' ' A' ' 18' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.901 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.776 HD23 ' H ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER 55.7 159.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.777 ' CD2' HG13 ' A' ' 133' ' ' VAL . 23.1 m-85 -144.58 -41.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.601 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 7.7 t80 -142.65 164.66 29.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.586 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 0.1 OUTLIER -161.02 109.9 1.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.43 144.32 9.41 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.413 ' CE1' ' HB2' ' A' ' 38' ' ' TRP . 8.1 m-85 -51.19 111.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.893 HD21 HD23 ' A' ' 93' ' ' LEU . 20.7 tp -112.92 152.08 29.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.851 HD22 ' HB3' ' A' ' 34' ' ' TYR . 14.8 mt -99.38 121.51 41.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.4 mm -108.93 123.79 65.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.851 ' HB3' HD22 ' A' ' 25' ' ' LEU . 77.6 m-85 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.542 0.211 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.653 ' C ' HD23 ' A' ' 25' ' ' LEU . 48.9 mt-10 -100.6 130.07 46.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.412 ' CE1' HD21 ' A' ' 25' ' ' LEU . 51.0 m80 -77.19 117.53 18.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.605 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.477 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 29.1 m-85 -137.16 138.45 40.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.586 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 75.6 t-105 -64.06 94.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.021 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.609 HG23 ' CD1' ' A' ' 48' ' ' PHE . 74.5 m -92.96 146.87 23.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.48 ' HG2' ' CB ' ' A' ' 21' ' ' GLU . 41.7 mt-10 -138.42 133.23 32.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.547 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.9 OUTLIER -90.82 116.36 28.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.577 ' HD2' ' CD1' ' A' ' 47' ' ' PHE . 84.3 mtt180 -123.73 130.12 52.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' ARG . . . 36.03 -94.49 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.558 1.161 . . . . 0.0 111.056 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 42' ' ' ARG . 3.2 p -134.03 11.01 3.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.444 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.546 HG22 ' CE1' ' A' ' 47' ' ' PHE . 8.0 m -116.46 125.7 52.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.347 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.5 mt -86.65 125.01 33.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.577 ' CD1' ' HD2' ' A' ' 42' ' ' ARG . 73.7 m-85 -115.92 129.46 56.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.609 ' CD1' HG23 ' A' ' 39' ' ' THR . 12.2 m-85 -110.64 144.3 39.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.502 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 88.9 m-85 -137.25 165.19 26.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.9 p -73.57 -47.95 36.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.403 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.456 ' O ' ' CG ' ' A' ' 38' ' ' TRP . 2.5 m-20 -144.99 -65.53 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -176.53 -54.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -43.38 -36.23 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.2 t -50.2 121.94 6.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -85.25 -54.32 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' TYR . 4.1 mp -86.51 98.61 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.502 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 51.1 p90 -37.57 133.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.1 p -55.68 -38.46 50.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -165.42 155.11 12.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.484 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 9.9 pttt -134.12 166.93 21.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.555 HD12 ' CZ ' ' A' ' 48' ' ' PHE . 6.9 mt -139.3 170.04 16.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.87 ' OD1' HG12 ' A' ' 64' ' ' VAL . 6.7 t0 -133.21 128.36 35.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.667 HG22 HD21 ' A' ' 86' ' ' LEU . 20.6 pt -133.38 28.07 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.87 HG12 ' OD1' ' A' ' 62' ' ' ASP . 14.3 p -72.91 -32.33 39.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.495 ' OD1' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -99.32 19.07 16.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.237 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.487 HD13 HD12 ' A' ' 84' ' ' LEU . 1.2 tp -44.05 130.72 6.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -85.61 -33.36 21.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 172.66 -179.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 108.282 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.541 HD12 HD13 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -130.87 128.28 40.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.458 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 32.0 p -105.29 174.16 6.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.951 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.463 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -77.05 115.1 16.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -120.54 119.02 31.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.531 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 2.9 p90 -143.44 155.8 44.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 m -112.1 134.38 53.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.595 HD23 HD13 ' A' ' 93' ' ' LEU . 1.6 mm? -80.69 108.96 14.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 44.2 t -86.97 111.15 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.945 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.2 mt -116.04 156.38 46.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.72 8.57 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.791 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -114.44 -58.08 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.945 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.2 tt0 -157.69 148.31 20.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.233 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -89.36 158.11 17.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.1 t -142.3 145.91 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -102.31 132.33 48.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.893 HD23 HD21 ' A' ' 24' ' ' LEU . 3.1 mp -119.47 161.2 20.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -154.27 155.86 35.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.465 HG22 ' CD1' ' A' ' 24' ' ' LEU . 2.6 p -133.37 173.1 11.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -83.56 -75.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.77 178.33 6.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 53.3 m -76.88 -47.68 20.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.393 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -44.81 -61.35 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 95.0 p -41.14 -46.85 3.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.995 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.463 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -46.36 -62.14 3.72 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -56.61 -33.02 65.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.601 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 2.1 mt-10 -60.05 -63.07 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.282 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.843 ' O ' HD12 ' A' ' 108' ' ' ILE . 68.7 m95 -57.02 -67.21 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 107.975 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.531 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -37.1 -68.73 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -43.77 -46.66 7.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.677 ' CE1' HG21 ' A' ' 133' ' ' VAL . 0.5 OUTLIER -65.61 -41.38 92.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 110.976 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.843 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.5 mp -65.91 -58.96 4.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 36.8 mt -46.17 -25.59 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.652 HG21 ' O ' ' A' ' 130' ' ' LEU . 82.9 m -80.77 -40.72 24.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.689 HG22 ' HA ' ' A' ' 108' ' ' ILE . 35.5 m -91.65 28.68 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.3 p -143.73 -45.71 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -86.51 -15.54 39.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 70.67 24.93 4.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.551 ' O ' HG23 ' A' ' 110' ' ' THR . 1.6 t -144.35 -160.44 1.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.444 HG13 ' HB2' ' A' ' 130' ' ' LEU . 61.7 t -133.94 122.74 16.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 145.72 31.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -106.36 -5.4 19.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -90.74 40.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.406 HG21 HG22 ' A' ' 127' ' ' VAL . 19.9 m -115.08 131.01 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.43 -10.85 59.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.483 ' HA ' HD12 ' A' ' 122' ' ' LEU . 1.5 tp -42.92 161.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.614 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.1 mm? -66.52 169.57 7.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.614 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.0 -7.67 19.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.735 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -96.75 -34.81 5.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 129' ' ' LYS . 2.3 mm100 -73.19 -45.41 56.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 110.342 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.406 HG22 HG21 ' A' ' 120' ' ' VAL . 2.1 t -46.1 -34.14 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.735 HD12 ' HA2' ' A' ' 125' ' ' GLY . 23.3 mt -56.53 -43.4 78.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 126' ' ' GLN . 5.7 mmmm -46.49 -51.77 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.652 ' O ' HG21 ' A' ' 110' ' ' THR . 14.3 mt -51.42 -42.31 61.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.416 ' HA ' HG21 ' A' ' 116' ' ' VAL . 1.2 m-70 -63.83 -48.49 76.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.635 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -64.8 -60.94 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.777 HG13 ' CD2' ' A' ' 19' ' ' TYR . 67.6 t -42.85 -40.73 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.475 ' O ' ' CG ' ' A' ' 137' ' ' GLU . 4.0 tp -56.03 -67.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.435 ' HA ' ' HB2' ' A' ' 138' ' ' LYS . 1.8 pt-20 -44.35 -41.18 5.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 1.0 OUTLIER -54.26 -52.66 60.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 134' ' ' LEU . 4.5 pt-20 -69.99 -31.54 69.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 25.8 mttm -51.21 -41.65 60.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -62.4 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 p -177.45 166.26 2.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.965 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 m -134.61 165.06 26.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.088 . . . . 0.0 110.025 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.97 140.05 8.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.118 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -169.81 152.18 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.77 . . . . 0.0 109.994 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m -123.36 98.15 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.11 159.91 10.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -111.98 128.4 56.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -113.83 90.07 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -135.84 89.31 2.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.5 mp -96.1 157.85 15.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.39 -50.13 3.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -108.48 132.82 55.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.9 m -122.43 -69.22 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -146.63 -60.85 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mp -113.54 150.43 43.22 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 133.15 16.18 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.531 1.806 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.844 HD11 ' OE1' ' A' ' 40' ' ' GLU . 15.3 tp -75.69 142.23 42.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.556 ' CD2' HG13 ' A' ' 133' ' ' VAL . 22.7 m-30 -122.98 -46.64 2.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.514 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 7.0 t80 -146.0 163.75 34.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 1.4 pt-20 -157.28 140.26 15.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.77 146.77 4.98 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -55.85 108.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.787 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.858 HD21 ' CD2' ' A' ' 93' ' ' LEU . 27.7 tp -109.39 150.01 28.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.61 HD23 ' O ' ' A' ' 35' ' ' GLU . 10.1 mt -105.52 125.73 51.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.444 ' HB ' ' CG ' ' A' ' 35' ' ' GLU . 23.6 mm -103.82 145.49 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.606 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 8.1 tttt -147.61 128.9 14.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.596 ' HG2' HG13 ' A' ' 91' ' ' VAL . 4.7 mtm105 -146.89 149.36 33.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.7 t -39.58 112.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.45 -41.26 1.92 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.577 ' CE1' ' HG2' ' A' ' 35' ' ' GLU . 6.4 m-85 -51.04 -55.89 15.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 84.74 -46.18 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 34' ' ' TYR . 8.6 mt-10 -129.31 118.54 22.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.606 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 24.1 m-85 -36.32 130.1 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.61 ' O ' HD23 ' A' ' 25' ' ' LEU . 1.4 pt-20 -89.72 149.68 22.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.542 ' O ' ' CG ' ' A' ' 37' ' ' TYR . 31.1 t-80 -103.82 134.07 47.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.622 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.561 ' CE1' HG11 ' A' ' 58' ' ' VAL . 40.9 m-85 -168.24 145.76 4.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 72.0 t-105 -72.33 92.54 1.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.465 HG23 ' CD1' ' A' ' 48' ' ' PHE . 94.7 m -81.68 139.63 34.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.844 ' OE1' HD11 ' A' ' 18' ' ' LEU . 13.3 mm-40 -127.52 130.37 49.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.479 HD21 HG21 ' A' ' 111' ' ' VAL . 0.5 OUTLIER -90.82 116.51 28.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -137.73 127.09 24.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.54 -93.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 p -146.82 19.16 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 110.352 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 61' ' ' LEU . 2.8 m -124.95 125.19 43.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.422 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.6 mt -82.2 123.46 29.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -110.4 120.01 41.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 61' ' ' LEU . 8.6 m-85 -98.9 129.97 45.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.519 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 64.7 m-85 -123.54 177.12 5.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.6 p -110.69 -30.33 7.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.411 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -161.07 155.61 23.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -34.35 69.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -47.84 84.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 m -49.89 133.38 22.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.3 mp -99.53 -38.72 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.5 mm -95.98 114.69 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.519 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 42.0 p90 -57.72 128.94 39.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.561 HG11 ' CE1' ' A' ' 37' ' ' TYR . 15.0 p -50.78 -34.49 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.37 157.73 11.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -136.5 159.42 41.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 45' ' ' THR . 1.4 mt -120.54 -161.91 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -161.31 128.81 4.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.439 HD12 ' CG2' ' A' ' 112' ' ' THR . 1.2 pp -138.94 40.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.361 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.3 p -86.12 -33.24 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.14 17.37 17.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.409 HD13 HD12 ' A' ' 84' ' ' LEU . 1.5 tp -42.14 133.23 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.93 -27.97 19.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.377 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 167.94 -179.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 108.277 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tt -132.44 128.53 37.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.9 p -105.79 163.01 13.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.366 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -125.24 146.43 49.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -117.63 116.5 27.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.27 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -46.81 -63.07 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.248 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 m 49.1 88.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.8 p -81.57 97.25 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -169.74 -59.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -129.75 139.73 51.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -79.37 83.7 5.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 9.0 m -135.67 173.59 11.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 108.332 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.575 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -100.29 117.88 35.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -130.52 113.52 14.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.447 ' CD2' ' HG3' ' A' ' 105' ' ' ARG . 3.7 p90 -135.35 155.67 50.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.3 m -109.99 134.97 51.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.356 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.552 ' CD2' HD13 ' A' ' 93' ' ' LEU . 1.7 mm? -84.35 105.77 15.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.1 t -83.98 119.68 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.88 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.5 mt -121.83 157.88 56.09 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.04 8.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -114.92 -58.43 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.88 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.1 tt0 -157.39 151.37 24.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.53 153.38 20.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.596 HG13 ' HG2' ' A' ' 28' ' ' ARG . 38.3 t -140.37 144.79 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -92.46 147.27 23.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.858 ' CD2' HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -139.19 150.22 45.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -154.52 157.56 38.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.617 HG21 ' HA2' ' A' ' 101' ' ' GLY . 67.6 p -122.41 -161.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -95.57 -41.28 9.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -144.36 171.31 14.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.85 -36.67 70.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.432 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -52.9 -69.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.5 m -44.56 -50.6 9.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.617 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -44.78 -69.79 0.69 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.564 1.165 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.426 ' HB3' HD13 ' A' ' 122' ' ' LEU . 0.5 OUTLIER -44.48 -34.58 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 110.266 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.514 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 1.9 mt-10 -64.26 -61.51 2.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.838 ' O ' HD12 ' A' ' 108' ' ' ILE . 85.2 m95 -55.16 -64.2 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.009 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.447 ' HG3' ' CD2' ' A' ' 82' ' ' PHE . 4.1 ttp180 -37.96 -57.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -58.03 -56.24 26.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.599 ' CE1' HG21 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -51.11 -42.28 60.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 0.791 . . . . 0.0 111.026 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.838 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.4 mp -65.54 -58.2 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 35.5 mt -46.17 -25.72 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.567 HG21 ' O ' ' A' ' 130' ' ' LEU . 82.0 m -81.17 -40.3 24.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.376 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.737 HG22 ' HA ' ' A' ' 108' ' ' ILE . 33.1 m -91.75 29.62 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.439 ' CG2' HD12 ' A' ' 63' ' ' ILE . 19.5 p -143.47 -48.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.441 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.17 -9.1 58.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 64.49 23.56 12.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.519 ' O ' HG23 ' A' ' 110' ' ' THR . 0.1 OUTLIER -141.9 -156.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.001 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 97.1 t -135.53 127.97 17.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 127.52 10.75 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.474 1.776 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -99.64 3.95 45.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -109.85 57.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.42 HG12 ' OE2' ' A' ' 102' ' ' GLU . 0.9 OUTLIER -123.74 -173.84 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.5 -0.18 8.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.471 ' HA ' HD12 ' A' ' 122' ' ' LEU . 0.3 OUTLIER -56.19 -176.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.561 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -110.12 -176.58 0.4 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.561 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.1 Cg_endo -75.06 -20.05 17.13 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.418 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -86.19 -19.91 56.23 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.454 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 6.6 mm100 -95.22 -42.2 8.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.7 t -52.81 -46.33 51.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.418 HD12 ' HA2' ' A' ' 125' ' ' GLY . 48.4 mt -40.31 -50.78 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -47.01 -54.02 11.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.567 ' O ' HG21 ' A' ' 110' ' ' THR . 43.1 mt -50.35 -44.45 54.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -63.43 -51.9 63.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.624 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.57 -57.13 14.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.599 HG21 ' CE1' ' A' ' 107' ' ' PHE . 55.3 t -47.02 -43.31 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.463 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.7 tp -57.65 -69.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -45.22 -31.87 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.346 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.72 -51.34 65.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -72.31 -26.04 61.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.316 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.463 ' HG3' HD12 ' A' ' 134' ' ' LEU . 23.8 mttt -52.43 -54.61 29.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.23 -44.43 22.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -47.78 -40.96 22.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -47.4 -34.29 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 95.7 mt -43.27 -79.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -97.81 78.59 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 33.2 t -124.53 -53.57 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -44.42 160.05 0.11 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.92 2.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 13.3 p -72.76 96.95 2.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 75.6 m 64.43 163.44 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.77 169.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 0.738 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -173.37 159.0 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.027 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.4 -92.51 0.09 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m 61.64 89.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 0.0 109.992 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.99 111.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.58 -93.19 0.25 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 46.74 76.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 110.322 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.59 113.99 15.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -54.73 -55.28 31.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 64.81 105.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.35 165.4 19.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mp -101.82 123.54 55.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 m -117.46 81.66 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.404 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -140.4 143.69 35.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 5.7 mt -43.58 141.99 1.94 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.365 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.0 115.49 4.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.718 HD13 ' C ' ' A' ' 18' ' ' LEU . 1.4 tm? -59.52 135.12 57.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.558 ' CD2' HG13 ' A' ' 133' ' ' VAL . 23.1 m-30 -115.18 -24.34 8.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -176.79 144.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 110.986 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.98 123.3 9.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.24 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.67 136.45 3.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -44.11 99.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.797 HD21 HD23 ' A' ' 93' ' ' LEU . 21.2 tp -106.68 148.31 28.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.772 HD22 ' HB3' ' A' ' 34' ' ' TYR . 11.2 mt -96.48 127.08 42.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.433 ' O ' ' CD2' ' A' ' 31' ' ' TYR . 14.4 mm -114.45 134.85 56.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -136.33 68.3 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.98 -80.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -161.28 -55.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -70.79 -14.02 72.51 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.433 ' CD2' ' O ' ' A' ' 26' ' ' ILE . 4.9 m-85 -55.04 112.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.47 -24.23 19.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -178.13 148.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.772 ' HB3' HD22 ' A' ' 25' ' ' LEU . 48.6 m-85 -37.49 123.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.633 ' C ' HD23 ' A' ' 25' ' ' LEU . 61.9 mm-40 -102.66 138.17 39.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.741 ' CD2' HD21 ' A' ' 25' ' ' LEU . 40.5 m80 -88.37 99.14 12.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.611 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 31.3 m-85 -121.79 138.81 54.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -65.81 87.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 80.4 m -82.61 137.52 34.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.391 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -128.99 130.76 47.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.437 HD22 ' HD2' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -90.91 117.16 29.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -140.64 128.56 21.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.32 -95.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 p -150.16 20.21 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 0.739 . . . . 0.0 110.408 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 61' ' ' LEU . 3.3 m -124.38 119.68 29.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.42 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.9 mt -73.52 113.52 10.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.365 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' A' ' 45' ' ' THR . 83.5 m-85 -101.58 122.28 43.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -102.33 142.49 33.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.544 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 73.4 m-85 -138.91 159.04 43.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.8 p -86.86 -31.51 20.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.391 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -164.5 170.12 16.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -62.96 -45.05 94.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -51.0 -51.08 56.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.8 m -44.34 124.78 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.5 mm -88.55 -50.09 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mp -82.75 140.51 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.544 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 55.1 p90 -78.49 126.48 30.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.05 -43.14 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.343 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.07 156.94 33.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -138.93 162.48 34.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.758 ' O ' HG23 ' A' ' 45' ' ' THR . 10.8 mt -140.58 176.22 8.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.991 ' OD1' HG12 ' A' ' 64' ' ' VAL . 13.5 t70 -141.11 126.85 19.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.606 HG22 HD21 ' A' ' 86' ' ' LEU . 39.7 pt -126.91 30.28 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.991 HG12 ' OD1' ' A' ' 62' ' ' ASP . 13.4 p -73.04 -32.09 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -94.79 18.51 11.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.625 HD13 HD12 ' A' ' 84' ' ' LEU . 5.3 tp -40.2 133.05 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.441 ' O ' ' CB ' ' A' ' 68' ' ' CYS . 1.2 m -91.2 -28.05 18.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.413 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 67' ' ' THR . 0.8 OUTLIER 164.44 -179.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 108.294 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.663 HD11 ' CD1' ' A' ' 82' ' ' PHE . 1.6 tt -145.05 136.03 24.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.599 HG23 ' NE2' ' A' ' 72' ' ' GLN . 15.3 t -131.71 -161.89 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.37 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -129.41 133.85 47.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.599 ' NE2' HG23 ' A' ' 70' ' ' THR . 17.8 mp0 -99.17 125.1 44.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -72.88 142.25 47.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.93 -59.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 55.4 m -118.52 127.41 53.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.422 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -50.12 173.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.257 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.01 130.23 3.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 178.2 -49.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.463 ' HA ' ' CA ' ' A' ' 98' ' ' THR . 31.2 p -142.37 168.93 18.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.583 1.177 . . . . 0.0 108.289 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.752 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -92.26 126.94 37.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -133.07 115.17 14.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.663 ' CD1' HD11 ' A' ' 69' ' ' LEU . 5.9 p90 -139.45 157.17 46.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.44 ' HG1' ' CD ' ' A' ' 72' ' ' GLN . 7.0 m -114.28 120.63 41.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.433 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.625 HD12 HD13 ' A' ' 66' ' ' LEU . 3.1 mm? -72.01 105.2 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.2 t -79.64 118.1 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.922 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.3 mt -121.13 157.62 54.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.72 8.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -114.83 -58.81 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.922 ' O ' HD12 ' A' ' 86' ' ' LEU . 8.3 tt0 -156.68 149.06 23.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -87.24 145.02 26.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.4 t -125.27 141.39 45.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -101.92 136.52 41.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.797 HD23 HD21 ' A' ' 24' ' ' LEU . 6.0 mp -126.29 151.98 46.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -148.46 142.64 26.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.768 HG21 ' HA2' ' A' ' 101' ' ' GLY . 33.1 p -118.86 165.23 14.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.63 -50.48 20.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 110.266 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -123.65 136.28 54.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.463 ' CA ' ' HA ' ' A' ' 79' ' ' CYS . 8.5 t -38.49 -45.7 1.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -45.71 -66.44 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.1 t -40.82 -48.22 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.768 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -45.18 -59.32 4.62 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.41 -41.34 19.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.09 -65.83 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.896 ' O ' HD12 ' A' ' 108' ' ' ILE . 68.7 m95 -51.15 -65.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 108.045 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 104' ' ' TRP . 9.4 ttp180 -37.29 -66.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -48.21 -50.38 22.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.52 ' CE1' HG21 ' A' ' 133' ' ' VAL . 1.1 m-85 -57.47 -41.15 80.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.896 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.4 mp -64.89 -60.02 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.6 mt -45.44 -26.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.524 HG21 ' O ' ' A' ' 130' ' ' LEU . 99.0 m -79.84 -40.69 27.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.704 HG22 ' HA ' ' A' ' 108' ' ' ILE . 34.2 m -91.66 29.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 24.9 p -147.92 -45.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.409 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.36 -12.11 50.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 110.329 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 64.45 26.27 13.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.261 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 110' ' ' THR . 0.2 OUTLIER -144.49 -162.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.979 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 60.8 t -132.47 122.9 18.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.52 5.3 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.801 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -90.85 30.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -134.47 51.14 2.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.2 m -121.58 138.06 53.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -69.89 -9.83 56.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.444 ' HA ' HD12 ' A' ' 122' ' ' LEU . 0.4 OUTLIER -50.95 -179.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.752 ' O ' HG23 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -109.05 -175.73 0.36 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.579 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -75.02 -19.95 17.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.49 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -83.38 -22.85 55.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.413 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 6.9 mm100 -94.68 -43.48 8.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 123' ' ' LEU . 54.0 t -52.31 -43.9 41.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.49 HD12 ' HA2' ' A' ' 125' ' ' GLY . 30.0 mt -41.56 -50.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -44.54 -55.35 5.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.524 ' O ' HG21 ' A' ' 110' ' ' THR . 19.6 mt -48.23 -46.42 35.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -61.94 -46.3 89.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.598 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -64.15 -59.61 4.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.558 HG13 ' CD2' ' A' ' 19' ' ' TYR . 56.1 t -44.89 -44.22 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.521 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.6 tp -55.51 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -47.33 -35.08 7.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.35 -51.98 66.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 2.0 pt-20 -71.73 -26.26 62.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.521 ' HG3' HD12 ' A' ' 134' ' ' LEU . 19.0 mttm -52.58 -55.17 24.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 142' ' ' ILE . 0.3 OUTLIER -45.7 -50.36 13.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -41.25 -43.2 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.0 -38.31 7.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 139' ' ' LYS . 94.6 mt -43.27 -78.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.4 -56.04 26.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.1 m -73.19 93.06 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -89.48 161.59 29.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 70.29 5.36 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 52.8 p -96.47 148.94 22.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 47.5 t -96.68 163.48 12.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -175.3 97.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 0.0 110.015 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 p -128.32 164.59 22.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.21 72.88 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.66 126.4 29.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -121.98 -57.84 1.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.016 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.33 98.49 1.62 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -122.42 92.36 3.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.578 0.81 . . . . 0.0 110.319 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.2 112.65 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -71.71 102.03 2.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 mt -83.89 142.25 30.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -146.32 138.59 25.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mp 65.21 142.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.8 m -160.42 131.29 5.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.63 104.54 9.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 43' ' ' GLY . 4.0 mt -144.56 115.05 5.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 111.48 3.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.772 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.714 HD13 ' C ' ' A' ' 18' ' ' LEU . 1.4 tm? -56.49 135.87 54.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.528 ' N ' HD13 ' A' ' 18' ' ' LEU . 21.7 m-30 -114.07 -26.13 8.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -176.09 144.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.403 ' OE2' HD11 ' A' ' 18' ' ' LEU . 1.2 pm0 -143.52 140.13 30.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.97 125.31 0.85 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.423 ' CG ' ' NE2' ' A' ' 36' ' ' HIS . 7.4 m-85 -37.53 98.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 0.791 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.617 ' CD1' HG22 ' A' ' 95' ' ' THR . 20.3 tp -100.99 150.05 23.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.894 HD23 ' O ' ' A' ' 35' ' ' GLU . 5.9 mt -101.95 124.98 48.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.524 HG13 ' CE1' ' A' ' 48' ' ' PHE . 11.4 mm -112.88 137.33 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.524 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -140.59 63.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.702 ' HD3' HD11 ' A' ' 61' ' ' LEU . 9.6 mtm105 -60.02 174.78 0.46 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.41 90.9 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.038 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 148.39 -44.3 0.77 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.46 ' CE1' ' HG3' ' A' ' 28' ' ' ARG . 26.2 m-85 -44.47 121.16 2.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -24.25 67.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -174.95 150.35 1.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.563 ' HB3' HD22 ' A' ' 25' ' ' LEU . 50.6 m-85 -44.24 127.53 5.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 111.045 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.894 ' O ' HD23 ' A' ' 25' ' ' LEU . 49.9 mm-40 -103.6 149.84 24.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.423 ' NE2' ' CG ' ' A' ' 23' ' ' PHE . 50.0 t-80 -97.02 103.55 15.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.578 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.501 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 48.3 m-85 -130.34 148.08 52.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' TYR . 74.4 t-105 -72.83 90.84 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.583 HG23 ' CD1' ' A' ' 48' ' ' PHE . 46.0 m -85.04 137.11 33.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.391 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -133.6 133.61 42.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.441 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.8 OUTLIER -90.88 116.37 28.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.409 ' HB3' HD13 ' A' ' 16' ' ' LEU . 5.0 mtt180 -134.89 127.02 29.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.462 ' N ' HD22 ' A' ' 16' ' ' LEU . . . 56.09 -103.92 0.29 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.826 HG21 HH22 ' A' ' 141' ' ' ARG . 2.5 p -138.7 14.97 2.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 110.37 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.78 HG23 ' O ' ' A' ' 61' ' ' LEU . 1.5 m -123.99 125.2 44.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.2 mt -76.04 125.71 29.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.421 ' CD2' ' O ' ' A' ' 45' ' ' THR . 91.3 m-85 -114.31 120.01 38.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.583 ' CD1' HG23 ' A' ' 39' ' ' THR . 38.4 m-85 -101.17 137.57 39.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.439 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 75.9 m-85 -130.65 166.69 20.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.508 HG23 ' HB ' ' A' ' 58' ' ' VAL . 62.2 p -97.06 -31.63 12.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.443 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -159.44 175.16 13.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -79.94 -21.64 43.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -76.91 -18.89 58.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -75.72 135.77 40.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 110.037 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.4 mm -95.66 -47.12 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.4 mt -88.52 134.39 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.439 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 50.8 p90 -74.12 130.92 40.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.508 ' HB ' HG23 ' A' ' 50' ' ' THR . 12.0 p -53.06 -37.79 27.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -164.38 156.93 16.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -136.35 164.79 27.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.78 ' O ' HG23 ' A' ' 45' ' ' THR . 8.1 mt -136.36 178.62 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.33 133.62 28.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.736 HG22 HD21 ' A' ' 86' ' ' LEU . 5.2 pt -134.46 14.55 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.82 -31.18 50.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.89 11.82 36.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.598 ' HA ' HD23 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -41.52 127.02 3.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -77.21 -43.81 32.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -179.11 -178.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 108.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.7 HD11 ' CD1' ' A' ' 82' ' ' PHE . 2.2 tt -135.86 125.6 25.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.8 p -99.01 -168.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -129.68 163.09 26.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.489 ' OE1' ' CA ' ' A' ' 82' ' ' PHE . 4.1 mp0 -121.32 130.81 53.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -55.55 147.73 17.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.7 -61.21 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.9 m 62.9 121.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 72.44 -58.47 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.11 124.77 21.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -96.35 88.29 4.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -149.62 179.9 7.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.694 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -124.71 121.07 33.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 72' ' ' GLN . 20.0 mtpt -134.16 115.48 14.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.7 ' CD1' HD11 ' A' ' 69' ' ' LEU . 8.9 p90 -140.39 153.05 46.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 91' ' ' VAL . 2.6 m -109.21 145.67 35.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.393 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.767 ' CD2' HD13 ' A' ' 93' ' ' LEU . 0.7 OUTLIER -92.27 116.16 28.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 28.9 t -92.58 121.85 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.957 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.3 mt -124.6 157.88 63.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.21 9.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -114.58 -55.99 2.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.957 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.9 tt0 -160.44 149.16 16.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -88.99 154.88 19.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.685 ' O ' HG23 ' A' ' 83' ' ' THR . 41.6 t -135.89 156.86 38.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -102.59 143.06 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.767 HD13 ' CD2' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -133.3 128.38 35.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.418 ' HE2' HD13 ' A' ' 25' ' ' LEU . 6.6 tttt -141.5 142.63 33.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.617 HG22 ' CD1' ' A' ' 24' ' ' LEU . 13.1 p -119.24 -159.23 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -96.33 -67.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -109.05 169.65 8.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.57 -40.49 97.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.372 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -48.4 -61.33 2.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -23.04 34.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.694 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -68.72 -62.96 3.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -53.2 -26.6 18.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.605 ' OE1' ' CD2' ' A' ' 107' ' ' PHE . 1.2 mm-40 -63.38 -69.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.85 ' O ' HD12 ' A' ' 108' ' ' ILE . 93.9 m95 -53.16 -56.74 14.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 108.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.538 ' NH1' ' CD2' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -41.28 -41.8 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.9 -57.09 3.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.565 1.166 . . . . 0.0 110.976 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.605 ' CD2' ' OE1' ' A' ' 103' ' ' GLU . 2.2 m-85 -46.21 -42.69 14.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.85 HD12 ' O ' ' A' ' 104' ' ' TRP . 2.0 mp -67.91 -59.01 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.4 mt -44.69 -26.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.656 HG21 ' O ' ' A' ' 130' ' ' LEU . 94.0 m -78.6 -42.17 29.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.37 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.664 HG22 ' HA ' ' A' ' 108' ' ' ILE . 33.8 m -91.59 30.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.445 ' CG2' HD12 ' A' ' 63' ' ' ILE . 30.2 p -149.26 -45.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.422 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -88.19 -6.99 57.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.653 HD21 ' HE ' ' A' ' 141' ' ' ARG . 2.5 mm? 57.93 23.83 10.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 110' ' ' THR . 3.6 t -139.18 -169.95 2.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 62.0 t -128.4 120.33 20.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 122.74 7.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.522 1.801 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.33 -11.62 34.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -93.22 64.44 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.1 m -132.48 166.66 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.84 -6.15 40.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.967 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.471 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.2 OUTLIER -55.36 -178.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.557 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -109.43 -176.34 0.39 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.01 -15.15 20.88 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.526 1.803 . . . . 0.0 110.959 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.786 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -91.23 -27.13 19.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.471 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 3.0 mm100 -85.93 -35.24 20.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.9 t -60.49 -33.34 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.786 HD12 ' HA2' ' A' ' 125' ' ' GLY . 37.8 mt -49.16 -49.48 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.432 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 7.2 mmmm -46.62 -56.59 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.656 ' O ' HG21 ' A' ' 110' ' ' THR . 11.3 mt -47.59 -44.79 26.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -63.14 -54.75 32.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.598 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -58.3 -60.37 3.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.467 HG13 ' CG ' ' A' ' 19' ' ' TYR . 61.3 t -43.1 -45.88 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.578 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.3 tp -55.44 -70.85 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -46.65 -32.58 3.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -62.57 -44.5 96.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 4.0 pt-20 -80.14 -28.57 38.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.578 ' HG3' HD12 ' A' ' 134' ' ' LEU . 31.7 mttt -51.18 -41.32 60.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.43 -65.89 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.81 -50.5 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.358 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.826 HH22 HG21 ' A' ' 44' ' ' THR . 23.8 mmt-85 -43.93 -44.53 7.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 10.8 mt -44.42 -80.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 145' ' ' GLY . 6.9 mt-10 -39.54 -55.69 1.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.4 t 69.86 -60.93 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 143' ' ' GLU . . . 94.6 -157.92 22.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 112.64 3.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 75.3 m 55.68 171.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.0 137.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.148 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.553 1.158 . . . . 0.0 111.032 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 p -130.66 85.64 2.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 0.745 . . . . 0.0 109.963 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.3 t -178.69 102.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.037 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.67 167.9 38.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.7 m -77.15 158.7 30.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -76.02 -55.28 5.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.038 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.22 -102.76 2.45 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.52 175.01 8.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 0.801 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.79 133.48 23.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.73 88.17 2.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.65 -179.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.8 pttt -131.3 134.77 46.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 tt -40.8 134.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 14' ' ' THR . 16.3 m 58.92 64.91 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.99 145.6 25.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 mt -62.55 145.57 94.84 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 117.75 5.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.827 HD21 ' CD ' ' A' ' 21' ' ' GLU . 8.0 tp -73.28 142.02 47.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.443 ' CG ' HG13 ' A' ' 133' ' ' VAL . 20.7 m-85 -122.63 -52.09 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.6 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 2.9 t80 -144.2 159.48 42.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.827 ' CD ' HD21 ' A' ' 18' ' ' LEU . 5.1 pm0 -162.06 122.18 2.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.49 135.78 3.6 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -38.93 100.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.006 HD21 HD23 ' A' ' 93' ' ' LEU . 21.0 tp -106.98 154.24 21.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.961 HD21 ' CD2' ' A' ' 36' ' ' HIS . 9.2 mt -101.31 127.12 48.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.5 mm -114.88 130.06 69.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 1.1 ttmt -132.99 75.85 1.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.574 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -54.06 -169.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.1 t -67.69 -40.33 84.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.97 70.98 0.21 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.574 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 1.1 m-85 -129.63 109.4 10.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 0.733 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -40.27 -28.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 31' ' ' TYR . 3.4 pt-20 175.23 165.46 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 61.4 m-85 -51.67 120.63 5.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.544 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 55.5 mm-40 -102.23 132.85 47.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.961 ' CD2' HD21 ' A' ' 25' ' ' LEU . 32.5 m80 -81.77 107.96 14.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.544 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 24.7 m-85 -132.46 140.66 48.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' TYR . 74.0 t-105 -67.58 90.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 107.977 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 55.4 m -83.32 136.35 34.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -123.92 125.34 44.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 107' ' ' PHE . 0.4 OUTLIER -90.98 116.41 28.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' THR . 25.6 mtt180 -136.88 127.02 26.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.35 -91.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.429 1.081 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.822 HG21 HH22 ' A' ' 141' ' ' ARG . 1.4 p -148.5 45.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.4 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 78.0 m -146.16 117.04 7.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.421 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 19.0 mt -78.89 100.05 7.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -87.95 121.56 30.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.441 ' O ' HG12 ' A' ' 58' ' ' VAL . 15.9 m-85 -104.49 131.83 51.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.401 ' O ' ' N ' ' A' ' 38' ' ' TRP . 66.0 m-85 -128.43 159.39 35.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.6 p -74.68 -27.36 60.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.354 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -167.54 -70.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.405 ' C ' ' N ' ' A' ' 54' ' ' SER . 7.7 ttpt -172.2 -61.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.41 -31.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 52' ' ' LYS . 19.6 t -54.1 120.15 6.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -85.05 -55.19 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.0 mt -85.85 97.4 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -37.39 136.94 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 48' ' ' PHE . 8.9 p -58.43 -36.06 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -169.79 153.96 5.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 24.4 pttt -134.32 163.2 30.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.3 mt -146.5 175.48 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.8 149.7 40.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.717 HD12 ' CG2' ' A' ' 112' ' ' THR . 7.2 pt -129.67 17.32 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.565 HG12 ' HB ' ' A' ' 44' ' ' THR . 16.5 m -62.8 -31.9 53.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.19 12.07 37.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.621 HD22 ' HB ' ' A' ' 112' ' ' THR . 0.5 OUTLIER -41.86 129.9 3.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.501 ' HB ' HG12 ' A' ' 85' ' ' VAL . 1.1 m -86.82 -31.3 20.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 167.3 -179.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 108.276 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.54 144.03 51.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 10.5 p -114.28 164.86 13.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -129.2 151.66 49.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 110.266 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -120.5 117.97 29.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -72.64 129.51 38.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.37 162.03 14.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.063 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.5 t -97.87 -14.17 20.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.387 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.502 ' O ' ' CE ' ' A' ' 77' ' ' LYS . 1.1 tm-20 -146.71 159.84 42.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.502 ' CE ' ' O ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER 39.63 -152.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -137.73 123.79 20.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 76.6 m -132.49 164.55 26.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 108.305 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.441 ' HB3' ' OG1' ' A' ' 95' ' ' THR . . . -112.17 113.75 26.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -136.54 113.51 10.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.494 ' CB ' ' O ' ' A' ' 70' ' ' THR . 5.9 p90 -141.09 157.51 45.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.8 m -117.5 137.91 52.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.562 HD22 ' N ' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -86.38 109.32 18.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.501 HG12 ' HB ' ' A' ' 67' ' ' THR . 56.9 t -85.49 120.72 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 89' ' ' GLU . 2.2 mt -125.5 156.71 70.09 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 0.57 8.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -113.11 -58.07 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.76 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.7 tt0 -156.69 150.07 24.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -89.46 136.13 33.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.6 t -117.75 138.77 47.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -100.85 138.47 37.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 1.006 HD23 HD21 ' A' ' 24' ' ' LEU . 5.4 mp -126.71 160.75 29.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.773 ' NZ ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -152.24 135.18 15.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.675 HG22 ' CD1' ' A' ' 24' ' ' LEU . 69.7 p -119.35 -36.53 3.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 95' ' ' THR . 4.7 mt-10 77.85 -53.91 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -82.55 131.53 35.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 m -59.77 -48.5 81.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -46.97 -68.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.84 -41.8 78.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.048 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.514 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -52.35 -62.76 5.46 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' A' ' 121' ' ' SER . 0.7 OUTLIER -57.25 -31.66 65.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.6 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 3.7 mt-10 -60.45 -68.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.517 ' HE3' HD11 ' A' ' 108' ' ' ILE . 88.1 m95 -48.59 -64.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 108.032 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -39.34 -36.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.91 -56.22 4.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.667 ' CE2' HG21 ' A' ' 133' ' ' VAL . 10.3 m-85 -53.1 -39.4 63.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.784 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.634 ' HA ' HG22 ' A' ' 111' ' ' VAL . 1.5 mp -70.65 -59.89 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 43.4 mt -44.51 -25.98 0.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.522 HG21 ' O ' ' A' ' 130' ' ' LEU . 90.2 m -79.74 -41.73 26.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.376 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.634 HG22 ' HA ' ' A' ' 108' ' ' ILE . 31.0 m -90.65 29.29 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.717 ' CG2' HD12 ' A' ' 63' ' ' ILE . 18.0 p -146.51 -44.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.81 -15.57 44.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 68.7 29.04 5.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.521 ' O ' HG23 ' A' ' 110' ' ' THR . 0.1 OUTLIER -154.54 -160.5 1.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.404 HG23 HD23 ' A' ' 134' ' ' LEU . 86.0 t -128.0 127.09 23.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 130.04 12.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.771 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -93.8 -14.6 26.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -89.31 59.93 5.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 1.4 m -128.84 147.13 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.416 ' N ' ' OE1' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -86.9 -8.64 57.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.064 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -51.86 -179.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.704 ' O ' HG23 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -108.74 -175.95 0.38 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.2 Cg_endo -75.05 -16.0 20.32 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.528 1.804 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.7 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -86.94 -29.17 23.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.425 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 5.7 mm100 -86.63 -40.05 15.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 123' ' ' LEU . 48.1 t -54.4 -39.09 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.7 HD12 ' HA2' ' A' ' 125' ' ' GLY . 28.1 mt -42.86 -48.97 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.663 ' O ' HG23 ' A' ' 133' ' ' VAL . 5.7 mmmm -52.23 -45.56 65.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.522 ' O ' HG21 ' A' ' 110' ' ' THR . 45.5 mt -60.53 -35.01 74.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -75.7 -54.05 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.643 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.42 ' OE2' ' CG2' ' A' ' 128' ' ' ILE . 44.4 mt-10 -59.83 -48.64 80.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.667 HG21 ' CE2' ' A' ' 107' ' ' PHE . 54.3 t -53.6 -41.45 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.566 HD11 ' HE3' ' A' ' 138' ' ' LYS . 3.3 tp -60.02 -67.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -51.08 -23.01 2.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 3.6 mmt180 -71.15 -52.87 16.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.478 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 1.0 OUTLIER -71.3 -27.84 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.566 ' HE3' HD11 ' A' ' 134' ' ' LEU . 30.8 mttt -55.41 -41.82 73.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -65.85 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 9.6 mtp85 -45.36 -54.11 7.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.822 HH22 HG21 ' A' ' 44' ' ' THR . 23.9 mmt-85 -38.82 -47.33 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.7 mt -43.76 -79.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -39.22 -60.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 31.9 m -41.36 -58.21 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 160.69 177.4 33.76 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 164.35 33.48 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.437 1.756 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.09 145.62 42.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.995 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.67 -58.12 2.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.8 p -171.04 148.52 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.967 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 t -176.81 93.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.95 101.14 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -145.31 158.0 43.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 0.805 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.45 147.42 45.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 110.048 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.87 116.1 1.22 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -123.83 88.67 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -148.31 142.44 26.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -120.04 89.5 3.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 11' ' ' LEU . 3.4 mm? -58.23 155.59 11.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -107.44 93.28 4.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 mp -86.93 126.97 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.521 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 93.5 m -151.89 117.7 5.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 72.84 -74.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mt -137.18 132.1 17.91 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 110.25 3.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.727 HD13 ' C ' ' A' ' 18' ' ' LEU . 1.4 tm? -65.17 136.05 56.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.889 ' CG ' HG13 ' A' ' 133' ' ' VAL . 19.4 m-85 -113.21 -26.88 8.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.471 ' HB2' ' CE2' ' A' ' 107' ' ' PHE . 11.3 t80 -177.08 148.6 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 1.4 pt-20 -145.68 129.52 17.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.62 148.9 11.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.425 ' CG ' ' CE1' ' A' ' 36' ' ' HIS . 5.0 m-85 -58.19 99.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.709 HD21 ' CD2' ' A' ' 93' ' ' LEU . 15.2 tp -99.87 149.5 23.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.63 HD23 ' O ' ' A' ' 35' ' ' GLU . 11.0 mt -101.71 121.06 41.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.569 HG13 ' CE1' ' A' ' 48' ' ' PHE . 12.6 mm -110.05 139.31 33.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.562 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 3.8 tttt -128.47 89.67 2.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.584 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -74.72 -167.21 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.0 p -80.44 -48.54 12.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.34 -20.88 79.52 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.584 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 3.5 m-30 -62.48 115.84 4.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 0.795 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -58.04 -23.55 54.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.157 . . . . 0.0 110.346 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -177.88 160.92 1.53 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.482 1.114 . . . . 0.0 110.249 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.562 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 43.1 m-85 -37.6 128.73 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.63 ' O ' HD23 ' A' ' 25' ' ' LEU . 63.7 mm-40 -107.95 146.73 32.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 110.325 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.425 ' CE1' ' CG ' ' A' ' 23' ' ' PHE . 6.9 t-80 -94.43 115.97 28.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.561 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 32.5 m-85 -142.88 145.88 33.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.526 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 66.1 t-105 -73.45 85.14 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 107.977 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.6 m -81.71 136.73 35.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.428 1.08 . . . . 0.0 110.381 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.449 ' HG2' ' CB ' ' A' ' 21' ' ' GLU . 46.3 mt-10 -128.35 131.13 48.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.2 OUTLIER -90.7 116.4 28.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.459 ' HB2' ' CD2' ' A' ' 47' ' ' PHE . 8.6 mtt180 -136.57 127.89 28.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.4 -101.15 0.11 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -140.93 13.81 2.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 110.403 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 61' ' ' LEU . 2.8 m -119.32 129.48 54.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.417 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.1 mt -79.86 117.58 20.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.459 ' CD2' ' HB2' ' A' ' 42' ' ' ARG . 76.0 m-85 -103.95 120.46 41.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.569 ' CE1' HG13 ' A' ' 26' ' ' ILE . 75.3 m-85 -103.63 144.0 32.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -133.92 146.43 50.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.766 HG23 ' HB ' ' A' ' 58' ' ' VAL . 2.1 p -73.62 -32.39 64.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.381 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -176.32 164.24 2.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -50.54 -46.57 57.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -44.56 -42.99 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -58.12 133.61 55.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.0 pp -110.02 -35.95 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.69 HG22 ' HD1' ' A' ' 57' ' ' TYR . 46.6 mm -74.18 -106.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.69 ' HD1' HG22 ' A' ' 56' ' ' ILE . 0.2 OUTLIER 179.22 147.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.766 ' HB ' HG23 ' A' ' 50' ' ' THR . 7.8 p -86.06 -34.79 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.59 179.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -161.27 167.58 25.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.545 ' O ' HG23 ' A' ' 45' ' ' THR . 53.0 mt -140.81 178.15 7.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.465 ' CG ' HG12 ' A' ' 64' ' ' VAL . 17.8 t0 -129.98 127.82 40.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.349 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.459 HD12 HG23 ' A' ' 108' ' ' ILE . 5.0 pt -126.86 21.34 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.465 HG12 ' CG ' ' A' ' 62' ' ' ASP . 11.7 p -76.01 -33.27 24.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.14 14.09 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.592 ' HA ' HD23 ' A' ' 86' ' ' LEU . 2.8 tp -41.12 127.74 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -83.87 -28.98 27.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 166.8 -177.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 108.363 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.509 HD12 HD13 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -132.83 130.3 39.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.103 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.6 p -103.3 171.6 7.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.435 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -128.79 118.82 23.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -86.73 117.18 25.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -88.68 147.85 24.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -119.95 -58.78 1.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.4 m -137.9 -66.37 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -170.78 71.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.8 tptt 63.92 141.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -179.59 -54.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 63.2 m -137.77 168.13 20.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 108.297 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.403 ' CB ' ' HA3' ' A' ' 101' ' ' GLY . . . -88.93 115.95 26.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -133.96 118.5 17.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 93' ' ' LEU . 7.8 p90 -147.22 151.39 36.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 91' ' ' VAL . 2.5 m -109.66 143.63 39.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.407 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.586 HD22 ' N ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -90.6 113.14 25.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.5 t -90.96 112.86 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 89' ' ' GLU . 3.8 mt -119.17 156.18 52.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.74 8.55 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.488 1.783 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -113.07 -58.49 2.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.668 ' O ' HD12 ' A' ' 86' ' ' LEU . 8.3 tt0 -155.87 149.69 25.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -92.81 145.06 24.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.587 ' O ' HG23 ' A' ' 83' ' ' THR . 86.8 t -130.12 156.72 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.365 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -108.49 141.93 39.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.345 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.709 ' CD2' HD21 ' A' ' 24' ' ' LEU . 1.3 mp -132.46 139.93 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.46 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -147.14 143.96 28.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.476 HG22 ' CD1' ' A' ' 24' ' ' LEU . 12.4 p -120.27 170.58 9.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -117.45 36.51 4.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -176.75 124.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -45.5 -40.14 8.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -60.59 -61.88 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.5 m -42.94 -43.41 4.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.403 ' HA3' ' CB ' ' A' ' 80' ' ' ALA . . . -51.87 -68.77 1.39 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -54.53 -30.62 54.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 110.306 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.2 -67.38 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.913 ' O ' HD12 ' A' ' 108' ' ' ILE . 72.9 m95 -58.3 -60.84 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -38.93 -52.09 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.62 -53.18 29.47 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.099 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.557 ' CE1' HG21 ' A' ' 133' ' ' VAL . 0.3 OUTLIER -51.23 -41.83 60.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 111.008 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.913 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.9 mp -66.39 -60.23 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.4 mt -45.61 -25.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.507 HG21 ' O ' ' A' ' 130' ' ' LEU . 80.6 m -80.32 -40.56 26.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.628 HG22 ' HA ' ' A' ' 108' ' ' ILE . 28.3 m -92.27 28.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.4 p -146.6 -45.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.74 -16.12 39.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 69.69 25.8 5.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.501 ' O ' HG23 ' A' ' 110' ' ' THR . 1.1 t -144.86 -160.17 1.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 66.9 t -134.35 122.8 16.17 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 124.51 8.69 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -85.85 -11.98 51.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -91.01 64.14 5.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 15.6 m -134.89 139.22 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -4.73 51.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.465 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.6 OUTLIER -52.68 179.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.564 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -106.7 -176.29 0.41 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.564 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.96 -21.52 15.85 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.528 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -84.66 -19.95 59.07 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.465 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 6.2 mm100 -96.05 -41.52 8.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 123' ' ' LEU . 25.3 t -55.03 -41.29 58.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.528 HD12 ' HA2' ' A' ' 125' ' ' GLY . 33.6 mt -44.93 -50.77 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -43.2 -58.84 2.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.538 HD22 ' HA ' ' A' ' 107' ' ' PHE . 16.0 mt -46.27 -44.95 16.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -61.62 -55.29 32.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.581 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -58.99 -60.55 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.17 . . . . 0.0 110.312 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.889 HG13 ' CG ' ' A' ' 19' ' ' TYR . 95.4 t -46.21 -48.58 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.641 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.5 OUTLIER -44.26 -67.91 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -46.34 -52.96 11.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 136' ' ' ARG . 1.1 mpt_? -44.94 -35.57 2.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 138' ' ' LYS . 5.4 tp10 -81.89 -48.74 11.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.52 ' HE3' HD11 ' A' ' 134' ' ' LEU . 51.9 mttt -38.86 -33.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 137' ' ' GLU . 0.0 OUTLIER -67.29 -69.47 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -58.06 -16.46 12.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 142' ' ' ILE . 0.0 OUTLIER -70.52 -24.85 62.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.471 ' N ' ' HG3' ' A' ' 141' ' ' ARG . 35.4 mt -51.22 -82.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -39.43 -70.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.7 m -109.21 134.92 51.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 179.95 -176.74 47.64 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 123.24 7.78 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.52 116.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.5 t -102.61 133.99 46.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -95.84 116.16 28.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 0.745 . . . . 0.0 110.019 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 70.84 150.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.991 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.63 121.03 0.55 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t 50.65 -157.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 110.018 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -119.65 -54.12 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.946 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.16 -82.4 0.39 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 62.94 -84.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.245 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -100.53 160.25 14.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.02 -54.07 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.8 mt 52.47 94.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -114.26 137.57 51.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mp -84.39 130.28 36.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.3 m 50.69 95.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.83 130.85 16.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mt -50.32 146.39 8.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 120.86 6.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.616 HD21 ' OE2' ' A' ' 21' ' ' GLU . 13.6 tp -73.74 150.45 41.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.617 ' CG ' HG13 ' A' ' 133' ' ' VAL . 21.6 m-85 -127.75 -50.32 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.595 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 16.2 t80 -149.06 154.14 38.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.616 ' OE2' HD21 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -147.52 151.24 36.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.65 141.75 3.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -51.93 105.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.746 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.716 HD21 ' CD2' ' A' ' 93' ' ' LEU . 21.9 tp -106.72 160.34 15.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.726 HD23 ' C ' ' A' ' 35' ' ' GLU . 7.0 mt -114.69 121.2 42.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 mm -110.99 129.37 66.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -128.77 71.22 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.17 -168.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.71 -74.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 32' ' ' ARG . . . -58.88 -117.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.525 ' O ' ' CB ' ' A' ' 32' ' ' ARG . 2.7 m-85 57.71 -82.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.525 ' CB ' ' O ' ' A' ' 31' ' ' TYR . 10.4 tpp180 86.64 0.33 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.352 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -164.05 128.1 2.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.562 ' HB3' HD22 ' A' ' 25' ' ' LEU . 71.4 m-85 -60.4 123.93 18.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.726 ' C ' HD23 ' A' ' 25' ' ' LEU . 21.7 mm-40 -107.65 140.6 40.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.449 ' CD2' HD21 ' A' ' 25' ' ' LEU . 31.3 m80 -80.98 124.29 29.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.581 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 40.0 m-85 -144.87 135.78 24.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' TYR . 74.9 t-105 -63.69 86.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 107.985 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.468 HG23 ' CD1' ' A' ' 48' ' ' PHE . 65.6 m -81.65 130.67 35.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.405 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -122.41 127.85 50.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.02 118.75 30.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.577 ' HG2' HD12 ' A' ' 18' ' ' LEU . 22.2 mtm180 -140.18 127.45 21.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.18 -96.58 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 p -147.36 22.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 0.789 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.7 m -124.92 121.04 33.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.8 mt -76.79 114.64 15.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -106.39 118.78 37.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.468 ' CD1' HG23 ' A' ' 39' ' ' THR . 8.9 m-85 -103.11 139.37 38.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.521 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 69.5 m-85 -133.83 159.13 41.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.8 p -85.8 -32.25 21.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 110.357 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -166.6 154.03 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -58.48 -23.81 58.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -67.97 -30.06 69.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -73.36 135.31 44.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -90.18 -42.42 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.6 mp -89.37 147.51 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 50.6 p90 -87.1 125.04 33.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.8 p -48.42 -44.43 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.3 156.12 30.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.481 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 7.2 pttt -136.74 160.93 37.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.525 ' CD1' HG11 ' A' ' 91' ' ' VAL . 4.9 mt -130.87 -179.52 5.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -146.52 125.35 12.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.783 HD12 HG23 ' A' ' 108' ' ' ILE . 16.1 pt -125.79 17.51 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.3 p -61.85 -40.57 87.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.26 16.54 11.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.58 HD13 HD12 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -45.44 129.1 8.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.523 ' HB ' HG12 ' A' ' 85' ' ' VAL . 1.0 OUTLIER -82.25 -33.48 29.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.441 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.11 -172.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 108.297 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.681 HD12 HD13 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -138.04 130.04 28.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.541 HG23 ' NE2' ' A' ' 72' ' ' GLN . 1.9 t -117.69 179.56 4.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.475 ' N ' ' OG1' ' A' ' 70' ' ' THR . 23.2 mt-10 -124.86 138.6 54.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.541 ' NE2' HG23 ' A' ' 70' ' ' THR . 55.1 mm-40 -107.65 149.16 28.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.35 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -146.34 144.64 29.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.84 -60.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.952 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 47.2 p -75.06 -54.31 7.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.389 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -178.99 162.53 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -107.65 86.99 2.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -120.77 -55.0 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.6 p -97.01 176.27 6.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 108.329 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.753 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -88.71 114.32 25.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -122.02 115.2 22.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.613 ' CD1' HD11 ' A' ' 69' ' ' LEU . 10.6 p90 -140.26 155.69 46.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 91' ' ' VAL . 1.5 m -114.55 137.31 52.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.421 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.681 HD13 HD12 ' A' ' 69' ' ' LEU . 1.3 mm? -84.26 110.11 18.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.523 HG12 ' HB ' ' A' ' 67' ' ' THR . 43.1 t -82.61 121.91 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.944 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.1 mt -125.33 156.56 69.87 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.88 8.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -114.36 -57.46 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.944 ' O ' HD12 ' A' ' 86' ' ' LEU . 3.9 tt0 -158.8 149.96 20.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.91 145.72 25.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.525 HG11 ' CD1' ' A' ' 61' ' ' LEU . 74.0 t -126.35 146.54 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -97.04 131.84 43.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.716 ' CD2' HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -125.69 121.67 34.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -125.96 149.71 48.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.668 HG21 ' HA2' ' A' ' 101' ' ' GLY . 48.4 p -122.77 159.79 27.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.54 -60.68 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -106.08 -170.36 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 t -89.96 -42.31 11.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -50.85 -67.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.2 p -47.99 -27.23 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.753 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -55.81 -56.72 22.44 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.413 1.071 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -35.79 81.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.763 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.595 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 2.2 tt0 -47.74 -60.24 2.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.842 ' O ' HD12 ' A' ' 108' ' ' ILE . 77.6 m95 -60.52 -64.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.433 ' CG ' HD22 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -37.44 -53.94 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -58.56 -56.56 24.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.726 ' HA ' HD22 ' A' ' 130' ' ' LEU . 1.0 OUTLIER -55.03 -40.91 70.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 111.02 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.842 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.5 mp -65.05 -57.88 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.4 mt -45.13 -27.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 115' ' ' SER . 89.5 m -78.98 -42.02 27.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.413 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.714 HG22 ' HA ' ' A' ' 108' ' ' ILE . 33.6 m -90.64 30.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 25.4 p -146.09 -45.36 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.54 -16.12 33.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.565 HD11 ' CD ' ' A' ' 141' ' ' ARG . 2.3 mm? 70.43 23.51 4.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 110' ' ' THR . 1.5 t -141.62 -164.98 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.549 HG13 ' HB2' ' A' ' 130' ' ' LEU . 50.4 t -131.06 124.94 20.87 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.03 4.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.793 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -92.23 -19.04 22.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -89.81 16.52 7.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.551 HG22 ' H ' ' A' ' 121' ' ' SER . 0.5 OUTLIER -71.91 -170.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.551 ' H ' HG22 ' A' ' 120' ' ' VAL . 0.2 OUTLIER -117.19 -30.7 5.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.052 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.519 ' HA ' HD12 ' A' ' 122' ' ' LEU . 1.4 tp -40.66 159.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.601 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.3 mm? -65.23 169.58 5.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.601 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -74.99 -7.57 19.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.767 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -97.07 -35.13 5.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -72.76 -41.55 64.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.2 t -51.2 -34.2 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.767 HD12 ' HA2' ' A' ' 125' ' ' GLY . 29.3 mt -50.1 -47.18 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -45.08 -55.47 5.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.726 HD22 ' HA ' ' A' ' 107' ' ' PHE . 7.8 mt -46.75 -44.73 19.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -59.48 -43.81 93.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.611 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -71.25 -53.79 13.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.617 HG13 ' CG ' ' A' ' 19' ' ' TYR . 43.8 t -51.49 -38.82 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.516 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.2 tp -60.29 -72.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -41.04 -30.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -52.44 57.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.558 ' CB ' ' NH2' ' A' ' 140' ' ' ARG . 1.4 pt-20 -71.43 -28.1 63.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.516 ' HG3' HD12 ' A' ' 134' ' ' LEU . 13.5 mttm -53.39 -45.67 69.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -55.96 -37.11 68.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.558 ' NH2' ' CB ' ' A' ' 137' ' ' GLU . 31.6 mtm105 -73.44 -24.88 60.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.565 ' CD ' HD11 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -69.61 -26.34 64.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.51 ' N ' HD13 ' A' ' 142' ' ' ILE . 3.2 mm -48.58 -83.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -43.88 -63.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.333 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.6 t 76.77 149.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -153.01 -160.7 9.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.56 31.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.491 1.784 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 26.2 p -139.54 141.68 37.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 5.2 t 72.07 -64.83 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 t -135.52 104.97 6.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 p -171.99 149.13 2.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.59 82.49 0.07 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -172.44 117.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.777 . . . . 0.0 109.983 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 p -178.52 133.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.02 114.37 2.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.99 163.42 36.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -139.04 -57.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.26 103.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.8 mt -80.29 -64.45 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.86 69.87 0.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 pp -139.82 112.82 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.5 m -129.41 92.41 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.54 54.91 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.428 HD21 HH21 ' A' ' 140' ' ' ARG . 9.7 mt -97.73 123.14 52.9 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.453 ' CG ' ' HD2' ' A' ' 136' ' ' ARG . 18.2 Cg_endo -74.98 117.51 4.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.438 1.757 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.742 HD13 ' C ' ' A' ' 18' ' ' LEU . 1.1 tm? -60.63 135.12 57.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.903 ' CD2' HG13 ' A' ' 133' ' ' VAL . 19.3 m-30 -108.68 -29.46 8.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.533 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 12.9 t80 -179.0 151.55 0.52 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -141.92 167.07 23.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.06 140.3 3.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.125 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -54.22 98.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.576 HD21 ' CD2' ' A' ' 93' ' ' LEU . 12.0 tp -100.07 157.95 16.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.785 HD23 ' C ' ' A' ' 35' ' ' GLU . 8.5 mt -111.06 117.13 32.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.558 HG13 ' CE1' ' A' ' 48' ' ' PHE . 17.3 mm -105.17 125.41 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.557 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 2.2 ttmt -125.38 66.37 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -55.91 175.16 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.7 p -70.61 65.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.99 62.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.548 1.155 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -140.54 120.48 13.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -53.29 -25.48 14.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 179.24 160.47 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.742 ' HB3' HD22 ' A' ' 25' ' ' LEU . 61.6 m-85 -53.83 125.6 19.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.785 ' C ' HD23 ' A' ' 25' ' ' LEU . 56.0 mm-40 -105.47 140.67 38.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.711 ' CE1' HD21 ' A' ' 25' ' ' LEU . 77.0 m80 -88.74 110.73 21.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.578 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 37.1 m-85 -131.82 137.15 47.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' TYR . 76.1 t-105 -62.61 85.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.0 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.526 HG23 ' CD1' ' A' ' 48' ' ' PHE . 90.1 m -83.48 130.01 35.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -122.48 133.34 54.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.4 OUTLIER -90.96 116.35 28.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -132.33 127.25 35.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.438 ' HA2' ' CE2' ' A' ' 19' ' ' TYR . . . 50.0 -100.9 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 p -137.53 15.21 2.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 110.344 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 61' ' ' LEU . 6.2 m -122.0 128.27 51.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.3 mt -82.22 130.67 35.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -120.39 119.96 34.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.558 ' CE1' HG13 ' A' ' 26' ' ' ILE . 22.3 m-85 -100.7 135.22 42.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.054 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.476 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 68.2 m-85 -130.43 151.57 50.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.954 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.422 ' CG2' ' HB ' ' A' ' 58' ' ' VAL . 13.1 p -84.14 -31.98 24.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -157.29 165.44 35.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -64.83 -33.87 77.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.33 -43.23 95.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.6 m -47.05 129.69 12.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -98.26 -43.26 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.5 mm -91.63 108.0 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.476 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 50.8 p90 -50.53 131.0 24.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.422 ' HB ' ' CG2' ' A' ' 50' ' ' THR . 12.4 p -51.65 -38.31 21.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -167.34 155.55 9.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.417 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 5.5 pttt -132.29 159.73 38.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 61' ' ' LEU . 4.7 mt -128.61 175.29 8.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.727 ' OD2' HG12 ' A' ' 64' ' ' VAL . 24.2 t70 -137.22 127.67 26.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.605 HG22 HD21 ' A' ' 86' ' ' LEU . 13.9 pt -132.61 24.21 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.727 HG12 ' OD2' ' A' ' 62' ' ' ASP . 8.9 p -73.26 -31.7 35.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.72 17.6 20.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.586 ' HA ' HD23 ' A' ' 86' ' ' LEU . 1.7 tp -44.16 128.38 5.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -81.77 -35.42 29.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 174.51 -179.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 108.278 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -128.35 126.98 41.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.8 p -103.73 172.32 6.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.402 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -129.78 115.42 17.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.264 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -72.93 114.46 11.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -66.47 158.54 29.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.26 -52.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.959 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.9 m -157.63 147.06 19.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 110.431 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -54.12 90.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.249 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 75' ' ' THR . 3.5 mmtt 65.84 85.98 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -152.58 94.65 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 36.7 m 68.73 162.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 108.32 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -105.37 117.47 34.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -134.35 113.84 12.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.479 ' CE1' ' HB3' ' A' ' 93' ' ' LEU . 7.6 p90 -139.91 149.39 43.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 91' ' ' VAL . 5.0 m -107.52 139.5 41.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.528 HD12 HD13 ' A' ' 66' ' ' LEU . 1.2 mm? -84.89 106.64 16.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.1 t -83.54 112.19 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 89' ' ' GLU . 4.3 mt -116.48 157.57 45.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -0.51 10.06 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.427 1.751 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -112.72 -58.92 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.662 ' O ' HD12 ' A' ' 86' ' ' LEU . 5.2 tt0 -154.85 148.47 25.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -88.76 139.01 30.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.643 ' O ' HG23 ' A' ' 83' ' ' THR . 73.7 t -122.47 154.39 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -105.41 143.46 33.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.576 ' CD2' HD21 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -134.22 130.67 37.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.436 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 5.6 ttpt -134.15 143.18 47.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.502 HG22 HD11 ' A' ' 24' ' ' LEU . 34.4 p -112.73 -166.14 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 110.421 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -112.96 -56.82 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -103.18 175.41 5.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 99.9 m -69.83 -53.06 19.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.531 ' HG3' HD11 ' A' ' 122' ' ' LEU . 31.1 tt0 -46.49 -62.74 1.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -39.09 -35.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.944 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.92 -67.95 1.91 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -55.97 -28.83 58.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.341 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.533 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 1.5 mt-10 -59.84 -63.01 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.821 ' O ' HD12 ' A' ' 108' ' ' ILE . 90.9 m95 -63.69 -61.39 2.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 107.98 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 104' ' ' TRP . 9.0 ttp180 -38.36 -50.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.05 -52.2 34.17 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.575 ' CE1' HG21 ' A' ' 133' ' ' VAL . 1.0 OUTLIER -54.08 -44.44 71.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 0.717 . . . . 0.0 110.994 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.821 HD12 ' O ' ' A' ' 104' ' ' TRP . 2.3 mp -65.44 -52.86 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 109' ' ' LEU . 20.0 mt -52.32 -21.4 3.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.58 HG21 ' O ' ' A' ' 130' ' ' LEU . 53.3 m -86.34 -38.54 17.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.755 HG22 ' HA ' ' A' ' 108' ' ' ILE . 27.7 m -91.47 22.79 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 108' ' ' ILE . 41.1 p -136.88 -46.41 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.421 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -87.12 -4.12 59.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.451 HD12 ' NH2' ' A' ' 141' ' ' ARG . 0.7 OUTLIER 58.74 22.8 10.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 110' ' ' THR . 1.9 t -138.92 -160.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.953 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.416 HG23 HD23 ' A' ' 134' ' ' LEU . 61.6 t -135.29 119.07 13.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 124.73 8.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -94.37 15.29 17.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -106.7 27.81 8.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.499 HG21 HG22 ' A' ' 127' ' ' VAL . 21.7 m -102.77 129.86 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -10.37 59.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 122' ' ' LEU . 1.6 tp -44.82 160.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.624 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.0 OUTLIER -65.13 169.2 6.03 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.624 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.97 -8.19 19.87 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.759 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -96.63 -33.29 6.2 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -75.13 -41.85 57.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.418 0.717 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.499 HG22 HG21 ' A' ' 120' ' ' VAL . 2.2 t -51.38 -35.04 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.759 HD12 ' HA2' ' A' ' 125' ' ' GLY . 35.5 mt -52.13 -48.14 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.407 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 5.0 mmmm -42.55 -50.73 5.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.58 ' O ' HG21 ' A' ' 110' ' ' THR . 17.9 mt -52.24 -43.62 64.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 128' ' ' ILE . 2.0 m-70 -64.09 -47.3 80.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.651 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -63.82 -57.43 9.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.155 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.903 HG13 ' CD2' ' A' ' 19' ' ' TYR . 53.6 t -47.29 -45.21 9.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.479 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.5 tp -54.93 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.17 -35.54 3.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.453 ' HD2' ' CG ' ' A' ' 17' ' ' PRO . 2.5 mmt180 -60.85 -53.17 60.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 1.7 pt-20 -70.47 -26.49 63.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.479 ' HG3' HD12 ' A' ' 134' ' ' LEU . 36.9 mttt -52.86 -54.13 38.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -47.31 -48.46 25.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.428 HH21 HD21 ' A' ' 16' ' ' LEU . 3.9 ttt-85 -43.3 -43.17 4.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.451 ' NH2' HD12 ' A' ' 114' ' ' LEU . 2.9 mtm180 -46.62 -37.88 8.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 8.5 mt -52.85 -87.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -45.91 -63.47 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 77.4 p 49.63 90.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -87.23 -150.05 17.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -45.02 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 51.17 85.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 55.2 m 52.77 95.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.04 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.128 . . . . 0.0 110.994 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 m -159.25 134.53 8.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 0.768 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.9 p -122.1 162.59 20.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.48 89.88 0.11 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.93 167.64 2.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.005 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -70.41 151.83 44.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.51 92.97 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.528 1.143 . . . . 0.0 111.043 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -89.76 73.33 7.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.765 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.87 125.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.13 94.33 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.859 ' H ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -146.87 175.37 10.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -161.47 58.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.8 mm -44.29 118.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 10.5 m -160.59 118.34 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 71.41 -74.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mt -118.31 142.93 32.09 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 117.5 4.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.525 1.803 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.675 HD21 ' OE1' ' A' ' 21' ' ' GLU . 14.2 tp -64.2 141.97 58.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.712 ' CD2' HG13 ' A' ' 133' ' ' VAL . 22.6 m-30 -117.82 -36.68 3.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.58 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 11.5 t80 -163.65 152.21 13.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.675 ' OE1' HD21 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -144.23 149.95 37.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.98 136.99 2.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -50.59 110.04 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.609 HD21 ' CD2' ' A' ' 93' ' ' LEU . 15.6 tp -109.92 149.26 30.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.038 HD23 ' O ' ' A' ' 35' ' ' GLU . 7.1 mt -102.61 128.54 49.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.489 ' O ' ' CD2' ' A' ' 31' ' ' TYR . 11.8 mm -118.04 132.17 68.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 1.3 tttm -110.75 -22.18 11.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.554 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 7.6 mtp180 43.67 -172.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.7 p -39.61 -52.08 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.7 113.81 0.58 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.44 1.088 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.554 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -115.01 -26.48 7.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 111.001 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.535 ' CB ' ' O ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER 86.83 -40.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -157.85 117.44 3.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.571 ' CE2' ' HE2' ' A' ' 94' ' ' LYS . 66.2 m-85 -42.71 124.13 2.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 1.038 ' O ' HD23 ' A' ' 25' ' ' LEU . 4.3 mt-10 -98.79 158.93 15.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.794 ' CE1' HD21 ' A' ' 25' ' ' LEU . 70.0 m80 -106.81 106.96 17.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.639 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -127.29 139.58 52.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' TYR . 76.0 t-105 -62.51 89.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.771 HG23 ' CD1' ' A' ' 48' ' ' PHE . 25.3 m -82.12 122.97 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -118.32 127.33 53.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.23 116.97 29.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -134.75 127.19 30.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.57 -101.13 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 p -140.18 16.96 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.531 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 3.3 m -121.82 118.31 28.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.421 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.8 mt -73.33 126.86 31.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.531 ' CD2' ' O ' ' A' ' 45' ' ' THR . 96.5 m-85 -117.4 125.71 51.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.771 ' CD1' HG23 ' A' ' 39' ' ' THR . 7.8 m-85 -109.93 127.02 54.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' TRP . 75.5 m-85 -122.3 166.24 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.1 p -77.07 -51.4 11.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.386 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -141.13 -67.75 0.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' LYS . 10.9 tttm -172.32 -62.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' LYS . 18.5 mmmt -40.24 -36.23 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 t -45.05 119.59 2.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.406 ' HB ' HD12 ' A' ' 56' ' ' ILE . 1.6 mp -84.55 -55.33 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.406 HD12 ' HB ' ' A' ' 55' ' ' ILE . 5.0 mp -89.44 95.18 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.499 ' CZ ' ' HD3' ' A' ' 60' ' ' LYS . 34.7 p90 -37.49 135.52 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.5 p -51.9 -33.18 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.354 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -174.55 156.72 2.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.499 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 41.9 pttt -133.84 163.95 28.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.538 HD11 HG11 ' A' ' 91' ' ' VAL . 3.7 mt -128.36 -176.77 3.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.405 ' OD2' HG12 ' A' ' 64' ' ' VAL . 20.0 t70 -143.6 125.17 14.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.529 ' O ' HG22 ' A' ' 112' ' ' THR . 5.9 pt -133.37 24.5 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.405 HG12 ' OD2' ' A' ' 62' ' ' ASP . 9.6 p -74.74 -38.03 43.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.72 19.99 12.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.246 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.646 ' HA ' HD23 ' A' ' 86' ' ' LEU . 5.5 tp -40.41 133.32 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.68 -39.94 21.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 175.85 -178.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.318 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.476 ' CD2' ' OE2' ' A' ' 71' ' ' GLU . 0.8 OUTLIER -131.68 133.04 44.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 5.7 p -112.2 148.03 34.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.476 ' OE2' ' CD2' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -110.01 147.88 32.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.59 139.7 51.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -90.12 138.53 31.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.27 -63.36 1.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.2 m -141.74 -63.64 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.435 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.97 81.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.332 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 43.73 73.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -126.65 -60.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 26.7 p -106.81 163.45 12.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 108.32 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.435 ' CB ' ' HA3' ' A' ' 101' ' ' GLY . . . -120.17 113.38 20.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -136.12 116.57 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.493 ' CB ' ' O ' ' A' ' 70' ' ' THR . 2.9 p90 -139.6 156.61 46.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 25.1 m -104.58 135.47 45.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.432 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.654 HD23 HD13 ' A' ' 93' ' ' LEU . 0.7 OUTLIER -89.26 96.49 10.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.5 t -75.89 123.84 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.646 HD23 ' HA ' ' A' ' 66' ' ' LEU . 2.7 mt -126.28 157.74 69.1 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.84 8.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.766 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -113.27 -56.28 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.644 ' O ' HD12 ' A' ' 86' ' ' LEU . 8.7 tt0 -159.0 154.12 25.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 12.0 mt-10 -91.69 146.14 24.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.346 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.538 HG11 HD11 ' A' ' 61' ' ' LEU . 75.7 t -132.64 149.0 31.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -103.17 142.27 34.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.654 HD13 HD23 ' A' ' 84' ' ' LEU . 2.9 mp -125.73 161.95 26.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.571 ' HE2' ' CE2' ' A' ' 34' ' ' TYR . 1.9 ttmm -154.21 137.6 15.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.408 HG22 ' CD1' ' A' ' 24' ' ' LEU . 40.3 p -126.87 -42.73 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.403 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.469 ' CG ' ' HD3' ' A' ' 94' ' ' LYS . 2.6 mm-40 65.18 49.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 174.23 117.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 m -44.98 -54.54 6.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.415 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -48.7 -73.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.3 m -42.06 -50.11 4.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.435 ' HA3' ' CB ' ' A' ' 80' ' ' ALA . . . -54.6 -69.95 1.1 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.645 ' OE2' HG12 ' A' ' 120' ' ' VAL . 1.4 mm-40 -39.8 -43.01 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.35 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.58 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 4.7 mt-10 -54.48 -69.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.83 ' O ' HD12 ' A' ' 108' ' ' ILE . 87.4 m95 -51.22 -62.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 108.021 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -38.07 -48.29 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -69.09 -60.88 4.91 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.12 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.417 ' CE1' ' HB3' ' A' ' 129' ' ' LYS . 6.2 m-85 -46.74 -42.88 17.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.6 mp -65.36 -61.21 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 47.8 mt -44.66 -26.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.247 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.721 HG21 ' O ' ' A' ' 130' ' ' LEU . 97.1 m -80.51 -40.82 25.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.379 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.723 HG22 ' HA ' ' A' ' 108' ' ' ILE . 32.8 m -91.61 28.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 63' ' ' ILE . 21.4 p -144.8 -46.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -85.47 -9.95 56.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.761 HD11 ' HG3' ' A' ' 141' ' ' ARG . 1.0 OUTLIER 63.56 22.14 13.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.459 ' HA ' HD22 ' A' ' 134' ' ' LEU . 0.7 OUTLIER -141.94 -160.89 1.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.99 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 48.5 t -133.92 123.14 16.86 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 119.59 5.72 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -90.42 25.66 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -123.79 38.83 4.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.645 HG12 ' OE2' ' A' ' 102' ' ' GLU . 4.3 m -111.03 138.43 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.95 -5.58 59.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 122' ' ' LEU . 1.9 tp -50.45 161.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.617 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.2 mm? -64.97 169.3 5.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.617 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.2 Cg_endo -75.03 -7.93 19.58 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.819 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -97.04 -34.22 5.74 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 110.945 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -74.78 -36.92 62.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 0.733 . . . . 0.0 110.28 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.93 -30.22 37.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.819 HD12 ' HA2' ' A' ' 125' ' ' GLY . 38.4 mt -54.99 -48.41 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.417 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 6.8 mmmm -43.94 -53.0 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.721 ' O ' HG21 ' A' ' 110' ' ' THR . 13.4 mt -49.81 -42.99 48.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -65.0 -51.65 60.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.583 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -61.05 -59.91 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.258 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.712 HG13 ' CD2' ' A' ' 19' ' ' TYR . 55.7 t -42.32 -46.17 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.571 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.6 tp -52.81 -68.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.08 -36.74 13.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -59.62 -50.69 72.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 3.3 pt-20 -73.23 -27.86 61.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.571 ' HG3' HD12 ' A' ' 134' ' ' LEU . 16.1 mttm -50.62 -50.66 53.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -48.89 -38.29 22.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -70.31 -27.88 64.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.348 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.761 ' HG3' HD11 ' A' ' 114' ' ' LEU . 26.4 mmm180 -63.54 -16.11 59.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 33.8 mt -63.88 -77.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -52.51 -75.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.89 110.75 9.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -81.24 -163.93 31.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.43 9.93 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.476 1.777 . . . . 0.0 111.004 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.75 -58.73 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.148 . . . . 0.0 109.983 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.25 97.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.965 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.569 1.168 . . . . 0.0 110.992 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -176.33 151.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.968 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 p -125.96 -61.29 1.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.153 . . . . 0.0 110.013 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.36 168.81 22.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 m 63.29 117.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 0.762 . . . . 0.0 110.036 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.0 p -98.32 -11.61 22.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.009 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.73 142.1 3.46 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.441 ' C ' ' CG ' ' A' ' 9' ' ' GLU . 20.5 mt-30 -146.58 83.8 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' CG ' ' C ' ' A' ' 8' ' ' GLN . 2.0 pt-20 41.02 78.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.513 ' C ' HD23 ' A' ' 11' ' ' LEU . 8.6 mtt180 -102.19 101.86 12.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.513 HD23 ' C ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -130.86 154.77 47.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -100.63 139.87 35.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 mp -121.68 128.03 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 t -128.95 -44.11 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.397 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' PRO . . . -47.6 -67.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.783 HD23 ' CB ' ' A' ' 42' ' ' ARG . 1.2 tp -38.9 99.45 0.19 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 120.12 5.94 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.941 HD21 ' CD ' ' A' ' 21' ' ' GLU . 16.3 tp -57.2 143.23 39.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -123.72 -42.05 2.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.574 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 4.1 t80 -159.41 153.35 23.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.941 ' CD ' HD21 ' A' ' 18' ' ' LEU . 15.2 pm0 -157.14 143.84 18.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.44 142.92 3.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -41.65 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.746 . . . . 0.0 110.982 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.452 ' CD1' HG22 ' A' ' 95' ' ' THR . 19.5 tp -109.77 150.01 28.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.754 HD23 ' O ' ' A' ' 35' ' ' GLU . 12.7 mt -102.44 127.97 49.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.9 mm -116.12 126.98 73.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -126.27 112.07 15.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -128.89 -177.62 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 m -71.57 73.93 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.041 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 148.14 44.87 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 111.036 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.444 ' O ' ' CB ' ' A' ' 32' ' ' ARG . 5.8 m-85 -135.21 -44.55 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 80.32 -51.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -136.58 140.06 42.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.658 ' HB3' HD22 ' A' ' 25' ' ' LEU . 56.4 m-85 -49.78 126.19 13.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 111.053 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.754 ' O ' HD23 ' A' ' 25' ' ' LEU . 46.4 mm-40 -104.13 144.68 31.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.682 ' CD2' HD21 ' A' ' 25' ' ' LEU . 48.6 m80 -91.17 111.5 23.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.49 ' HE1' HG22 ' A' ' 50' ' ' THR . 34.4 m-85 -131.41 136.85 48.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.426 ' N ' ' O ' ' A' ' 49' ' ' TYR . 73.5 t-105 -65.68 95.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 107.982 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.1 m -88.7 142.02 28.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 110.394 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -132.28 127.65 36.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.01 125.8 35.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.783 ' CB ' HD23 ' A' ' 16' ' ' LEU . 24.3 mtt180 -146.12 127.65 15.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.02 -92.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 42' ' ' ARG . 7.3 p -151.48 32.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 0.737 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.9 m -136.45 114.95 11.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.354 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 30.3 mt -74.7 129.89 38.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -117.95 121.39 40.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 59' ' ' ASP . 14.4 m-85 -101.75 137.5 39.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 57' ' ' TYR . 70.3 m-85 -134.02 131.2 38.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.49 HG22 ' HE1' ' A' ' 37' ' ' TYR . 34.4 p -61.3 -29.79 70.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -164.13 158.74 19.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -62.88 -37.46 87.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -55.24 -45.46 76.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.66 138.24 23.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.969 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.1 mm -91.72 -47.1 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.0 mt -85.7 149.55 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 55.2 p90 -87.58 126.79 35.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.484 ' HB ' HG23 ' A' ' 50' ' ' THR . 9.9 p -45.43 -49.21 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.461 ' N ' HG13 ' A' ' 58' ' ' VAL . 2.7 m-20 -162.79 151.78 14.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.7 pttt -122.78 158.52 30.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 61' ' ' LEU . 4.6 mt -131.24 167.83 18.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.473 ' OD2' HG12 ' A' ' 64' ' ' VAL . 1.7 t70 -134.18 132.99 40.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.597 HG22 HD21 ' A' ' 86' ' ' LEU . 14.4 pt -133.55 30.97 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.473 HG12 ' OD2' ' A' ' 62' ' ' ASP . 7.2 p -75.4 -41.81 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.29 17.68 6.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.632 ' HA ' HD23 ' A' ' 86' ' ' LEU . 8.9 tp -44.74 134.35 5.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -85.03 -35.04 22.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 175.46 -178.1 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 108.319 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.442 HD11 ' CD1' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -131.03 126.26 35.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.1 p -99.73 166.58 11.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -128.29 127.74 43.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -86.43 131.05 34.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -46.7 -60.29 2.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.9 m 68.63 177.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.038 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.5 m -61.91 95.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.408 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 39.11 69.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.9 tttp 41.9 85.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -132.69 121.28 22.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 72.5 m 63.06 160.16 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 108.332 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.664 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -84.78 114.99 22.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -126.86 118.22 24.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.442 ' CD1' HD11 ' A' ' 69' ' ' LEU . 13.6 p90 -144.71 151.93 39.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 91' ' ' VAL . 1.4 m -111.62 137.1 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.605 HD23 HD13 ' A' ' 93' ' ' LEU . 2.0 mm? -82.01 114.06 20.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 40.7 t -93.63 109.78 22.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 66' ' ' LEU . 5.1 mt -113.51 157.67 40.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 1.75 7.38 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.3 -61.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.473 ' O ' HD12 ' A' ' 86' ' ' LEU . 5.8 tt0 -150.55 153.18 35.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.351 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.403 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 1.5 mt-10 -96.56 144.47 26.6 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.547 ' O ' HG23 ' A' ' 83' ' ' THR . 78.6 t -127.51 146.79 32.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -100.58 124.73 46.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.328 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.605 HD13 HD23 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -112.5 135.17 53.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 4.0 ttpt -137.63 147.68 45.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.504 HG21 ' HA2' ' A' ' 101' ' ' GLY . 19.8 p -120.12 161.85 20.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -85.8 -46.65 10.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -102.53 170.68 7.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 65.5 m -84.24 -54.58 4.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.417 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -47.95 -63.9 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.6 m -43.41 -36.38 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.664 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -54.45 -52.68 43.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.554 ' OE2' HG12 ' A' ' 120' ' ' VAL . 1.2 mm-40 -62.47 -25.97 68.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.574 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 3.2 mt-10 -67.92 -68.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.926 ' O ' HD12 ' A' ' 108' ' ' ILE . 78.9 m95 -44.57 -63.49 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 107.972 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 104' ' ' TRP . 4.4 ttp180 -37.61 -61.54 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -48.84 -68.92 1.12 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.793 ' CE1' HG21 ' A' ' 133' ' ' VAL . 14.8 m-85 -41.85 -47.52 4.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.926 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.8 mp -64.32 -51.79 63.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.422 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 20.0 mt -54.83 -17.7 3.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.78 HG23 ' O ' ' A' ' 115' ' ' SER . 33.3 m -88.58 -44.54 10.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.581 HG22 ' HA ' ' A' ' 108' ' ' ILE . 15.9 m -81.78 8.9 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.861 HG23 ' O ' ' A' ' 108' ' ' ILE . 67.6 p -122.39 -51.41 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -81.64 -10.73 59.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 114' ' ' LEU . 0.2 OUTLIER 64.01 18.68 11.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.78 ' O ' HG23 ' A' ' 110' ' ' THR . 0.4 OUTLIER -138.79 -154.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 42.3 t -135.93 127.89 17.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 116' ' ' VAL . 18.4 Cg_endo -75.0 117.62 4.98 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 111.068 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -91.67 22.87 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -127.53 49.97 2.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.554 HG12 ' OE2' ' A' ' 102' ' ' GLU . 0.3 OUTLIER -118.3 160.41 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.08 -6.74 23.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.481 HD21 ' CG ' ' A' ' 103' ' ' GLU . 1.2 tp -50.97 159.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.627 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.3 mm? -65.27 169.58 5.68 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.627 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -74.98 -8.11 19.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.774 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -97.01 -33.34 6.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -74.44 -42.46 59.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 t -50.38 -34.18 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.774 HD12 ' HA2' ' A' ' 125' ' ' GLY . 32.4 mt -51.47 -47.22 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -47.55 -53.27 14.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.751 ' O ' HG21 ' A' ' 110' ' ' THR . 23.6 mt -49.61 -31.48 10.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -79.43 -50.44 10.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.633 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.87 -40.77 94.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.793 HG21 ' CE1' ' A' ' 107' ' ' PHE . 44.4 t -61.1 -43.36 96.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.55 HD22 ' HA ' ' A' ' 115' ' ' SER . 5.6 tp -56.55 -65.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.456 ' O ' ' CD ' ' A' ' 139' ' ' LYS . 37.1 mt-10 -49.81 -30.89 10.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.3 mmt-85 -64.13 -62.89 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 1.2 pt-20 -63.39 -25.19 68.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.544 ' HG3' HD12 ' A' ' 134' ' ' LEU . 11.3 mttm -51.46 -58.99 4.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.456 ' CD ' ' O ' ' A' ' 135' ' ' GLU . 0.0 OUTLIER -41.33 -52.97 3.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 14.1 ttp85 -39.78 -45.93 1.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -43.89 -40.57 4.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 139' ' ' LYS . 57.9 mt -45.89 -82.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -84.14 75.39 10.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 10.1 t -158.37 -61.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -131.3 159.09 23.0 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -58.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.531 1.806 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.85 149.45 29.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.32 151.2 32.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 m 65.51 135.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 0.731 . . . . 0.0 110.013 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p -171.01 165.92 7.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.7 163.26 32.88 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 p -155.07 141.4 18.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 0.774 . . . . 0.0 109.975 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -170.24 167.72 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.997 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.6 -149.78 5.11 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -87.98 109.88 20.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 0.748 . . . . 0.0 110.286 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.14 152.91 36.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -108.09 116.74 32.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.239 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -76.61 -59.5 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 pttm 46.79 -164.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mp -134.88 127.14 48.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -156.11 -54.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.402 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . -119.7 175.95 5.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' ALA . 1.1 tp -40.3 103.55 0.3 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 131.92 14.87 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.478 1.778 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.585 HD21 ' HG2' ' A' ' 21' ' ' GLU . 8.5 tp -71.91 139.67 48.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.443 ' CG ' HG13 ' A' ' 133' ' ' VAL . 23.1 m-85 -115.72 -37.36 3.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.57 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 4.7 t80 -161.03 150.25 16.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG2' HD21 ' A' ' 18' ' ' LEU . 2.4 pt-20 -151.88 135.12 15.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 24' ' ' LEU . . . 178.67 133.31 1.89 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -38.0 96.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.604 HD21 HD23 ' A' ' 93' ' ' LEU . 14.1 tp -98.24 153.17 18.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.903 HD21 ' CD2' ' A' ' 36' ' ' HIS . 12.1 mt -107.24 125.79 51.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.417 HG13 ' CE1' ' A' ' 48' ' ' PHE . 14.1 mm -113.19 133.44 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.57 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -130.84 54.89 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.588 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -46.92 173.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.09 103.44 2.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.12 23.01 5.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.118 . . . . 0.0 111.049 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.588 ' CE1' ' HB2' ' A' ' 28' ' ' ARG . 1.7 m-85 -98.85 106.52 18.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 0.777 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -38.18 -31.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.273 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 31' ' ' TYR . 4.9 pt-20 -179.17 153.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 52.9 m-85 -42.98 125.49 3.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.535 ' O ' HD23 ' A' ' 25' ' ' LEU . 41.9 mm-40 -102.41 145.17 29.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.903 ' CD2' HD21 ' A' ' 25' ' ' LEU . 6.6 m80 -95.18 118.25 31.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.632 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.702 ' HE1' HG22 ' A' ' 50' ' ' THR . 32.0 m-85 -144.18 135.99 26.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.549 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 61.4 t-105 -60.4 92.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 108.047 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.406 HG21 HD23 ' A' ' 24' ' ' LEU . 45.7 m -81.59 133.67 35.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -123.56 122.96 39.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 107' ' ' PHE . 0.1 OUTLIER -91.17 123.35 34.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -148.39 126.98 12.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.16 -97.9 0.07 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.432 HG22 ' HB ' ' A' ' 111' ' ' VAL . 6.2 p -146.47 20.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.757 . . . . 0.0 110.379 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.8 m -124.84 123.73 40.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.374 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.0 mt -79.84 132.58 36.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -120.28 124.47 45.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.482 ' CZ ' HD12 ' A' ' 61' ' ' LEU . 28.6 m-85 -105.45 137.41 43.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.539 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 68.1 m-85 -134.56 127.33 31.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.702 HG22 ' HE1' ' A' ' 37' ' ' TYR . 31.7 p -60.43 -31.79 70.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 54' ' ' SER . 41.0 m-20 -162.61 143.97 10.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -44.54 -41.6 6.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -51.36 -42.4 61.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 51' ' ' ASP . 48.7 m -41.64 123.83 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -79.18 -42.47 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.47 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.1 pp -111.28 139.43 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.539 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 53.9 p90 -61.59 128.57 36.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 111.049 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.672 ' HB ' HG23 ' A' ' 50' ' ' THR . 6.2 p -52.07 -40.67 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.23 152.78 15.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -129.61 159.86 35.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.482 HD12 ' CZ ' ' A' ' 48' ' ' PHE . 9.0 mt -134.1 161.92 33.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -124.63 129.09 49.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.736 HD12 HG23 ' A' ' 108' ' ' ILE . 10.5 pt -128.81 23.62 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.0 p -72.49 -34.24 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.77 12.72 22.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.519 ' HA ' HD23 ' A' ' 86' ' ' LEU . 3.3 tp -43.58 129.34 5.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -85.38 -39.11 17.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.373 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -179.04 -179.16 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 108.301 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.486 HD21 ' CB ' ' A' ' 82' ' ' PHE . 0.7 OUTLIER -131.54 127.14 36.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.3 p -104.04 172.46 6.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.352 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -128.99 115.62 18.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -82.2 150.26 27.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 65.08 105.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 76.4 p -84.21 107.75 16.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.972 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.5 m 50.56 92.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.41 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 178.18 126.73 0.05 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.542 1.152 . . . . 0.0 110.351 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.96 138.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -82.07 97.62 8.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -178.09 178.75 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 108.247 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.591 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -130.39 124.88 33.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -134.38 122.26 22.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.486 ' CB ' HD21 ' A' ' 69' ' ' LEU . 1.7 p90 -137.05 157.24 47.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.1 m -116.84 114.72 24.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.739 HD22 HD13 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -66.17 101.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.378 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.7 t -76.0 118.6 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.843 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.6 mt -122.41 156.89 60.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.29 9.05 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -113.45 -58.27 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.843 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.2 tt0 -156.74 149.15 23.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -87.44 133.83 33.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.4 t -112.4 144.88 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -104.6 138.87 40.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.739 HD13 HD22 ' A' ' 84' ' ' LEU . 2.9 mp -128.89 154.85 46.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.515 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -153.8 147.68 25.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.8 p -129.1 152.35 48.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.452 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -52.64 -57.43 10.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.272 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -119.32 168.7 10.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.1 t -61.53 -41.18 96.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.375 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -43.44 -64.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.05 -48.09 8.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.013 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.591 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -47.89 -70.83 0.66 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -45.9 -30.6 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 110.35 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.57 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 1.9 mt-10 -68.01 -68.37 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.804 ' O ' HD12 ' A' ' 108' ' ' ILE . 86.3 m95 -52.79 -58.29 7.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 108.047 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.45 ' HG3' ' CD2' ' A' ' 82' ' ' PHE . 5.5 ttp180 -42.12 -35.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.252 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.01 -67.08 1.89 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.543 ' CE2' HG21 ' A' ' 133' ' ' VAL . 22.5 m-85 -44.79 -41.75 7.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.97 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.804 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.8 mp -67.57 -63.99 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.459 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 27.9 mt -42.07 -25.27 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.903 HG23 ' O ' ' A' ' 115' ' ' SER . 84.7 m -79.78 -62.73 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.535 HG22 ' HA ' ' A' ' 108' ' ' ILE . 15.5 m -58.33 -14.95 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.459 ' OG1' ' HA ' ' A' ' 109' ' ' LEU . 25.4 p -95.34 -53.87 3.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.356 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 114' ' ' LEU . 13.6 mt-10 -84.06 10.48 9.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.725 HD21 ' CD ' ' A' ' 141' ' ' ARG . 0.2 OUTLIER 39.32 33.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.903 ' O ' HG23 ' A' ' 110' ' ' THR . 0.3 OUTLIER -149.88 -162.89 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 48.7 t -126.71 122.1 23.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 122.85 7.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.804 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -92.02 25.78 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -124.96 42.76 3.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.1 m -116.42 151.2 18.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.32 -8.98 26.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 122' ' ' LEU . 1.6 tp -43.44 161.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.621 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.1 mm? -65.67 169.27 6.7 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.621 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -74.98 -8.01 19.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.731 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -96.65 -33.96 5.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -74.08 -43.68 56.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.02 -34.17 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.731 HD12 ' HA2' ' A' ' 125' ' ' GLY . 37.8 mt -51.01 -47.92 30.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -45.81 -58.28 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 45.1 mt -44.16 -40.44 5.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -67.16 -55.37 14.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.58 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -58.32 -52.88 63.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.543 HG21 ' CE2' ' A' ' 107' ' ' PHE . 46.2 t -50.69 -40.84 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.513 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.0 tp -59.11 -64.52 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -52.34 -27.08 14.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 2.4 mmt85 -64.77 -59.65 3.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.426 ' CD ' HD13 ' A' ' 114' ' ' LEU . 8.1 pt-20 -66.36 -38.52 87.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.513 ' HG3' HD12 ' A' ' 134' ' ' LEU . 7.1 mttm -39.45 -47.75 1.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 142' ' ' ILE . 65.0 mmtt -51.22 -52.89 40.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 137' ' ' GLU . 0.3 OUTLIER -39.24 -44.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.725 ' CD ' HD21 ' A' ' 114' ' ' LEU . 3.2 mtm180 -45.13 -45.25 11.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 139' ' ' LYS . 8.6 mt -41.6 -78.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -87.95 70.54 9.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 22.5 m -62.09 154.81 25.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -122.2 -155.43 9.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.488 1.117 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 130.95 13.85 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 56.9 p -170.7 101.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.8 t -93.15 -58.76 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.08 85.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 0.797 . . . . 0.0 110.029 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 m -153.56 165.99 34.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.9 175.24 35.91 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.08 167.57 12.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 0.765 . . . . 0.0 109.981 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 t -95.52 -59.25 1.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.23 87.82 0.55 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -178.21 74.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 110.303 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -117.05 95.28 4.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.098 . . . . 0.0 110.348 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.21 84.99 4.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.45 159.42 29.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -87.02 147.6 25.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mp -41.51 -60.25 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -157.61 -52.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.454 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -168.62 126.91 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.871 HD21 ' HD2' ' A' ' 42' ' ' ARG . 48.2 tp -112.43 108.2 54.68 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.99 32.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.808 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.507 HD21 ' OE1' ' A' ' 21' ' ' GLU . 41.3 tp -98.42 150.07 22.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.949 ' CD2' HG13 ' A' ' 133' ' ' VAL . 18.9 m-30 -115.18 -70.06 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -120.17 171.47 8.46 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.507 ' OE1' HD21 ' A' ' 18' ' ' LEU . 3.4 pt-20 -173.2 112.83 0.22 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.259 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.49 166.54 38.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.575 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 2.3 m-85 -73.11 108.6 6.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.05 HD21 HD23 ' A' ' 93' ' ' LEU . 18.4 tp -113.32 156.01 24.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.785 HD23 ' C ' ' A' ' 35' ' ' GLU . 5.2 mt -103.89 121.95 44.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.432 HD11 HD23 ' A' ' 24' ' ' LEU . 14.5 mm -111.17 126.18 68.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 3.6 tttt -123.19 72.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -70.95 174.0 6.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.37 78.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.27 50.69 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.504 ' O ' ' CB ' ' A' ' 32' ' ' ARG . 2.0 m-85 -133.61 -46.72 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER 84.17 -48.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -133.63 134.5 43.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.566 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 47.5 m-85 -49.29 133.29 19.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.785 ' C ' HD23 ' A' ' 25' ' ' LEU . 76.2 mm-40 -111.0 140.28 45.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.325 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 23' ' ' PHE . 1.9 t-80 -83.84 119.57 25.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.577 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.561 ' CE1' HG22 ' A' ' 50' ' ' THR . 34.6 m-85 -142.41 135.3 28.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.554 ' HB2' ' CE1' ' A' ' 23' ' ' PHE . 59.1 t-105 -65.87 90.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.035 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.68 HG22 ' CH2' ' A' ' 104' ' ' TRP . 52.4 m -82.69 147.69 28.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.466 ' HG2' ' CB ' ' A' ' 21' ' ' GLU . 14.3 mt-10 -135.8 121.23 19.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -97.73 114.7 26.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.871 ' HD2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -132.64 138.99 47.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.644 ' HA2' ' CE2' ' A' ' 19' ' ' TYR . . . 43.25 -94.68 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 42' ' ' ARG . 2.3 p -141.72 21.68 2.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 0.752 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.6 m -120.65 131.61 54.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.479 ' CD2' ' HG ' ' A' ' 41' ' ' LEU . 74.4 mt -98.78 126.61 44.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' ' 39' ' ' THR . 59.6 m-85 -112.75 150.44 31.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.885 ' O ' HG12 ' A' ' 58' ' ' VAL . 12.1 m-85 -132.2 118.22 19.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 57' ' ' TYR . 90.3 m-85 -118.53 167.7 11.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.561 HG22 ' CE1' ' A' ' 37' ' ' TYR . 69.3 p -104.31 -28.03 11.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -161.66 148.41 14.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.247 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -48.32 -39.32 21.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -56.08 -49.69 73.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.5 m -41.93 123.94 2.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 110.042 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.6 mm -87.72 -47.01 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.162 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.3 mm -94.34 125.47 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.527 ' CZ ' ' HD3' ' A' ' 60' ' ' LYS . 36.6 p90 -65.16 136.36 56.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.885 HG12 ' O ' ' A' ' 48' ' ' PHE . 7.5 p -50.77 -33.68 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -178.04 156.19 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.527 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 4.9 pttt -130.84 155.98 45.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.0 mt -128.57 176.54 7.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.78 135.52 38.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.658 HG22 HD21 ' A' ' 86' ' ' LEU . 6.9 pt -132.68 29.58 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.4 -30.97 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.43 13.34 30.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.519 HD13 HD12 ' A' ' 84' ' ' LEU . 3.9 tp -40.57 132.57 2.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.81 -30.4 20.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 171.74 -177.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 108.328 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.552 HD12 HD13 ' A' ' 84' ' ' LEU . 1.3 tt -134.19 126.64 30.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.1 p -101.85 175.76 5.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -129.52 114.01 15.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.73 108.34 19.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 179.6 169.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -150.84 113.28 4.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.975 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.0 m 62.75 -80.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 74' ' ' SER . 3.0 mt-10 -64.27 151.82 42.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.76 104.25 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -124.15 107.7 11.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 80.7 m 60.86 156.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 108.309 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.494 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -85.75 115.34 23.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -119.92 122.78 42.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -147.79 150.57 34.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 91' ' ' VAL . 7.3 m -113.22 124.12 51.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.954 HD23 HD13 ' A' ' 93' ' ' LEU . 1.8 mm? -72.29 103.86 3.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.2 t -78.91 122.0 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.93 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.7 mt -123.52 157.91 60.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.01 9.44 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -114.54 -58.46 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.93 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.3 tt0 -156.99 148.29 22.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -87.03 156.15 19.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 83' ' ' THR . 69.6 t -135.48 144.46 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.448 ' C ' HD12 ' A' ' 93' ' ' LEU . 61.4 mt-30 -103.72 137.92 41.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 1.05 HD23 HD21 ' A' ' 24' ' ' LEU . 8.1 mp -127.91 157.26 41.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 6.1 tttt -154.2 148.51 26.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.633 HG22 ' CD1' ' A' ' 24' ' ' LEU . 70.1 p -126.05 167.69 14.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.391 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.12 -65.37 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -97.92 153.8 18.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 88.2 m -56.53 -47.44 79.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.461 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.414 ' C ' ' N ' ' A' ' 101' ' ' GLY . 1.1 mm-40 -45.78 -68.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.54 -29.8 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.966 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.494 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -64.13 -61.78 5.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -52.4 -35.46 51.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.47 ' HG3' HD11 ' A' ' 122' ' ' LEU . 3.9 mt-10 -58.47 -67.97 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.931 ' O ' HD12 ' A' ' 108' ' ' ILE . 62.5 m95 -50.01 -65.41 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -37.99 -61.3 0.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 110.26 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -55.06 -55.66 27.01 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.52 ' CE1' HG21 ' A' ' 133' ' ' VAL . 3.4 m-85 -49.47 -43.34 44.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.931 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.8 mp -66.98 -56.08 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.9 mt -48.05 -23.8 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.615 HG21 ' O ' ' A' ' 130' ' ' LEU . 57.1 m -82.54 -39.66 22.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.712 HG22 ' HA ' ' A' ' 108' ' ' ILE . 34.1 m -92.48 27.44 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 108' ' ' ILE . 40.0 p -142.92 -45.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.437 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.47 -15.83 44.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.565 HD21 ' HD2' ' A' ' 141' ' ' ARG . 1.3 mm? 70.73 23.11 4.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.45 ' O ' HG23 ' A' ' 110' ' ' THR . 0.1 OUTLIER -145.45 -158.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.002 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 48.8 t -130.91 123.43 20.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 120.61 6.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.87 -4.29 58.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -98.69 62.03 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.6 m -132.26 140.41 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.4 -6.55 57.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.485 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.1 OUTLIER -51.1 177.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.573 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -103.28 -175.47 0.39 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.5 Cg_endo -75.02 -11.0 21.43 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.783 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.714 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -90.54 -35.45 7.37 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.485 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 1.8 mt-30 -75.96 -49.62 17.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.6 t -44.36 -36.56 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.714 HD12 ' HA2' ' A' ' 125' ' ' GLY . 58.0 mt -49.41 -50.68 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.445 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 6.7 mmmm -48.45 -53.54 17.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.615 ' O ' HG21 ' A' ' 110' ' ' THR . 15.8 mt -51.46 -41.48 60.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -65.79 -52.83 47.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.569 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -60.57 -58.62 7.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.949 HG13 ' CD2' ' A' ' 19' ' ' TYR . 55.8 t -45.48 -43.26 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.591 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.4 tp -58.12 -69.49 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -46.61 -31.22 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.3 mmt-85 -63.83 -48.91 74.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 5.0 pt-20 -74.86 -30.56 61.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.364 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.591 ' HG3' HD12 ' A' ' 134' ' ' LEU . 25.5 mttt -50.1 -42.3 50.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -61.69 -64.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -46.63 -46.59 19.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.565 ' HD2' HD21 ' A' ' 114' ' ' LEU . 5.6 mmp_? -42.41 -35.4 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 95.9 mt -45.9 -82.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -86.75 62.69 7.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.6 t -169.11 138.89 2.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 116.62 162.79 13.02 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.108 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.26 24.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.484 1.781 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.57 154.75 25.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 99.7 p -54.25 -28.95 44.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.973 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 m -141.72 143.3 33.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.021 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -145.27 119.27 9.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.25 103.68 0.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -133.23 130.38 38.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 110.028 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.05 96.09 6.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.56 97.34 2.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 54.28 103.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 0.745 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.76 137.66 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.73 -55.68 3.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 59.02 157.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -151.14 113.61 4.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mp -42.21 -68.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.2 m -151.43 142.73 23.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.412 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.68 -56.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.427 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 2.7 mt 63.52 129.89 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 16' ' ' LEU . 18.4 Cg_endo -75.0 120.24 5.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.477 1.777 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.681 HD21 ' OE1' ' A' ' 40' ' ' GLU . 2.2 tm? -57.12 134.71 56.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.648 ' CD2' HG13 ' A' ' 133' ' ' VAL . 20.5 m-30 -110.9 -28.62 8.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 6.8 t80 -170.86 140.76 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.529 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 3.6 pt-20 -129.18 139.83 51.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.58 154.08 8.96 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -71.12 108.72 4.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 110.954 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.461 ' CD1' HG22 ' A' ' 95' ' ' THR . 13.1 tp -105.14 153.55 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.817 HD23 ' O ' ' A' ' 35' ' ' GLU . 12.7 mt -106.77 116.64 32.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 mm -108.8 128.95 64.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.563 ' HE2' ' CE2' ' A' ' 34' ' ' TYR . 2.1 ttpp -122.26 4.28 9.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.592 ' HA ' HG13 ' A' ' 91' ' ' VAL . 0.0 OUTLIER 36.08 -155.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.347 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.64 -20.55 22.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.59 -102.25 2.63 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.47 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 2.8 m-85 52.45 171.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 111.035 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.51 -23.1 10.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -178.38 146.77 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CE2' ' HE2' ' A' ' 27' ' ' LYS . 60.7 m-85 -49.91 122.76 7.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.817 ' O ' HD23 ' A' ' 25' ' ' LEU . 8.6 mm-40 -109.95 151.25 27.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.55 ' CD2' HD21 ' A' ' 25' ' ' LEU . 67.2 m80 -92.85 121.63 34.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 45.0 m-85 -141.43 137.56 32.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.529 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 72.9 t-105 -63.78 84.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.041 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.526 HG23 ' CD1' ' A' ' 48' ' ' PHE . 52.6 m -81.7 135.85 35.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.681 ' OE1' HD21 ' A' ' 18' ' ' LEU . 4.7 mm-40 -125.09 136.99 54.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.479 HD22 ' HD2' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -94.94 117.11 29.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.419 ' N ' HD23 ' A' ' 41' ' ' LEU . 15.3 mtt180 -135.27 126.91 28.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 50.33 -96.43 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -142.24 16.76 2.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.2 m -120.27 123.83 44.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.2 mt -80.38 113.07 18.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -101.26 119.46 38.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.526 ' CD1' HG23 ' A' ' 39' ' ' THR . 10.9 m-85 -102.27 139.76 37.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.417 ' O ' ' N ' ' A' ' 38' ' ' TRP . 75.9 m-85 -132.66 155.07 49.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.841 HG23 ' HB ' ' A' ' 58' ' ' VAL . 76.0 p -93.29 -28.57 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -160.07 152.97 21.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -38.68 78.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -56.49 -40.89 75.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.93 139.26 41.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.976 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.7 mt -106.29 -43.38 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.8 mt -87.9 105.2 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.487 ' CZ ' ' HD3' ' A' ' 60' ' ' LYS . 55.8 p90 -44.46 129.98 6.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.841 ' HB ' HG23 ' A' ' 50' ' ' THR . 6.2 p -52.11 -47.81 42.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.435 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -156.35 160.59 39.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.487 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 9.2 pttt -141.39 162.01 36.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.496 ' CD1' HG11 ' A' ' 91' ' ' VAL . 7.5 mt -135.84 176.16 8.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -136.31 131.77 34.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.814 HG22 HD21 ' A' ' 86' ' ' LEU . 6.7 pt -134.37 21.36 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.8 p -69.02 -32.15 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.45 16.71 22.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.577 ' HA ' HD23 ' A' ' 86' ' ' LEU . 2.4 tp -43.19 133.61 3.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -88.32 -30.76 19.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 110.355 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 170.61 -178.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.306 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.71 HD12 HD13 ' A' ' 84' ' ' LEU . 1.1 tt -132.92 128.43 36.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.7 p -99.79 168.71 9.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.386 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -127.83 119.17 25.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -85.42 111.32 19.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -117.25 96.14 5.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.11 70.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.028 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.4 m -161.82 159.11 26.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.389 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.431 ' O ' ' CG ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -86.24 62.08 7.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.431 ' CG ' ' O ' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -172.86 175.6 3.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -124.19 47.84 2.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.6 m -93.89 174.45 7.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 108.312 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.83 119.94 38.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -135.36 115.83 13.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.427 ' CE1' ' HB3' ' A' ' 93' ' ' LEU . 4.3 p90 -142.64 156.53 45.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 91' ' ' VAL . 3.0 m -115.04 137.83 51.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.354 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.71 HD13 HD12 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -86.2 111.94 20.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -84.86 125.16 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.814 HD21 HG22 ' A' ' 63' ' ' ILE . 2.7 mt -127.0 156.58 74.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.48 8.84 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.36 -57.34 2.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.751 ' O ' HD12 ' A' ' 86' ' ' LEU . 3.7 tt0 -158.13 151.32 23.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.21 142.57 27.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.592 HG13 ' HA ' ' A' ' 28' ' ' ARG . 66.8 t -124.44 139.44 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -91.36 138.05 31.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.709 HD13 HD23 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -129.49 144.11 51.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.518 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -146.94 147.3 30.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.501 HG21 ' HA2' ' A' ' 101' ' ' GLY . 8.8 p -123.7 -177.41 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.434 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -80.86 -48.2 12.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -146.05 166.93 24.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.1 m -51.6 -43.29 62.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -46.93 -63.85 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.51 -40.47 71.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.501 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -55.06 -66.38 2.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.705 ' OE2' HG12 ' A' ' 120' ' ' VAL . 1.4 mm-40 -39.16 -42.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 0.795 . . . . 0.0 110.336 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.573 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 2.6 mt-10 -55.56 -70.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.773 ' O ' HD12 ' A' ' 108' ' ' ILE . 84.0 m95 -49.63 -61.79 1.92 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 107.961 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -39.91 -45.17 1.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.06 -53.59 10.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.618 ' CE1' ' HB3' ' A' ' 129' ' ' LYS . 7.2 m-85 -53.79 -42.44 68.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.773 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.7 mp -65.26 -59.73 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 45.9 mt -45.49 -26.11 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.58 HG21 ' O ' ' A' ' 130' ' ' LEU . 96.4 m -80.68 -40.94 24.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 110.409 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.725 HG22 ' HA ' ' A' ' 108' ' ' ILE . 31.2 m -91.15 28.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 23.8 p -144.16 -45.42 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.47 -19.31 31.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 73.33 21.27 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.429 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -148.2 -179.76 7.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.442 HG23 HD23 ' A' ' 134' ' ' LEU . 57.8 t -108.02 125.05 32.96 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.39 18.92 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -95.69 -5.74 41.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -97.27 60.97 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.705 HG12 ' OE2' ' A' ' 102' ' ' GLU . 1.2 m -133.21 157.17 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.87 0.01 27.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.496 HD13 ' HB3' ' A' ' 102' ' ' GLU . 0.3 OUTLIER -52.08 -176.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.635 ' O ' HG23 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -108.96 -176.33 0.4 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.558 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.02 -20.23 17.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.588 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -87.16 -24.27 37.86 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.465 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 5.0 mm100 -90.82 -36.65 14.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 123' ' ' LEU . 18.0 t -57.28 -42.35 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.588 HD12 ' HA2' ' A' ' 125' ' ' GLY . 25.1 mt -41.48 -49.81 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.618 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -45.62 -58.33 3.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.58 ' O ' HG21 ' A' ' 110' ' ' THR . 23.3 mt -47.97 -40.06 21.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -68.15 -55.97 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.594 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -57.67 -56.87 16.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.648 HG13 ' CD2' ' A' ' 19' ' ' TYR . 69.4 t -48.23 -48.45 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.571 HD12 ' HG3' ' A' ' 138' ' ' LYS . 4.1 tp -52.0 -68.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -50.15 -33.8 20.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.284 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.44 ' HB3' ' CE1' ' A' ' 19' ' ' TYR . 8.8 mmt180 -63.49 -55.18 26.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 141' ' ' ARG . 3.4 pt-20 -69.34 -25.91 64.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.571 ' HG3' HD12 ' A' ' 134' ' ' LEU . 10.1 mttm -51.3 -57.15 9.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 28.7 mmtm -43.37 -55.48 4.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 9.7 mtt-85 -67.85 -24.51 65.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.487 ' HG3' ' N ' ' A' ' 142' ' ' ILE . 0.0 OUTLIER -70.32 -24.34 62.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.487 ' N ' ' HG3' ' A' ' 141' ' ' ARG . 12.5 mt -63.19 -80.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -45.1 -64.23 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.13 118.79 37.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 165.76 179.52 39.43 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 178.67 6.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.523 1.802 . . . . 0.0 110.964 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.81 -59.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 19.1 t -155.28 128.61 8.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.973 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -164.84 160.76 19.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.75 . . . . 0.0 109.978 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -178.89 141.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.0 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.23 -133.43 7.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 t 61.79 138.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.14 104.86 12.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.982 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.72 -153.78 8.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.474 1.108 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -159.6 111.89 2.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.779 . . . . 0.0 110.355 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.72 141.04 28.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.26 72.45 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.348 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.0 mp -87.26 144.92 26.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.55 123.56 6.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -73.95 -42.93 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 t -139.76 129.72 24.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.416 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -111.89 -68.57 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.67 151.63 53.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HB3' ' NH1' ' A' ' 136' ' ' ARG . 18.3 Cg_endo -75.0 118.16 5.17 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.487 1.783 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.907 HD21 ' OE1' ' A' ' 21' ' ' GLU . 3.0 tp -72.82 138.94 46.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.635 ' CD2' HG13 ' A' ' 133' ' ' VAL . 19.5 m-85 -119.47 -35.49 3.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -163.25 170.92 16.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.032 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.907 ' OE1' HD21 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -164.44 150.54 10.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.61 139.59 2.69 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -46.71 106.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 0.796 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.956 HD21 HD23 ' A' ' 93' ' ' LEU . 14.8 tp -106.91 152.34 24.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 35' ' ' GLU . 10.1 mt -106.03 134.9 48.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.167 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.2 mm -115.21 137.88 47.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.601 ' HB2' ' CD2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -149.51 56.12 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.626 ' HG3' HG13 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -36.89 -56.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.87 -52.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.7 74.56 2.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.589 ' CE1' ' HG2' ' A' ' 35' ' ' GLU . 42.2 m-85 -150.59 -73.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.79 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' A' ' 31' ' ' TYR . 1.1 tmm_? 82.5 -47.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.553 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 3.3 tt0 -98.66 -2.71 37.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 110.339 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.601 ' CD2' ' HB2' ' A' ' 27' ' ' LYS . 14.6 m-85 58.79 149.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.868 ' O ' HD23 ' A' ' 25' ' ' LEU . 2.7 pt-20 -97.78 148.45 23.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.34 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.663 ' CE1' HD21 ' A' ' 25' ' ' LEU . 27.0 m80 -103.88 101.14 10.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.621 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' A' ' 35' ' ' GLU . 42.2 m-85 -132.6 140.06 48.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -67.43 95.74 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 108.016 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.443 HG21 HD23 ' A' ' 24' ' ' LEU . 5.7 m -83.81 139.3 32.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -128.41 129.42 46.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.437 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.1 OUTLIER -90.89 119.05 30.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -138.56 126.69 22.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 53.42 -100.32 0.06 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.95 ' HB ' HG12 ' A' ' 64' ' ' VAL . 3.0 p -138.33 11.07 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.432 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.6 m -118.83 126.66 52.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 110.433 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.4 mt -82.82 135.92 34.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.231 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.417 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 88.1 m-85 -123.45 129.32 51.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.447 ' O ' HG12 ' A' ' 58' ' ' VAL . 3.2 m-85 -116.75 130.77 56.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.498 ' CD2' ' HA ' ' A' ' 57' ' ' TYR . 59.1 m-85 -124.17 161.63 25.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.574 HG23 ' HB ' ' A' ' 58' ' ' VAL . 55.9 p -81.94 -20.18 39.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -165.11 173.28 11.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -72.25 -28.64 63.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -72.54 -29.68 63.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.75 138.59 14.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.2 mt -107.42 -48.88 8.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mt -92.72 99.48 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.498 ' HA ' ' CD2' ' A' ' 49' ' ' TYR . 53.7 p90 -40.29 130.04 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.574 ' HB ' HG23 ' A' ' 50' ' ' THR . 12.7 p -58.45 -31.36 43.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -168.48 145.89 4.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.9 pttt -125.81 163.51 22.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.788 HD11 HG11 ' A' ' 91' ' ' VAL . 6.6 mt -132.5 166.32 22.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.79 130.5 36.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.694 HD12 ' CG2' ' A' ' 112' ' ' THR . 9.1 pt -131.44 14.91 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.95 HG12 ' HB ' ' A' ' 44' ' ' THR . 3.1 m -62.26 -24.56 35.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -108.1 13.87 25.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.57 ' HA ' HD23 ' A' ' 86' ' ' LEU . 2.7 tp -39.36 132.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -86.74 -32.87 20.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 171.56 -179.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 108.289 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.542 HD12 HD13 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -133.02 127.31 33.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.3 p -100.74 171.42 7.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -128.28 120.54 27.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -100.07 109.14 21.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 176.03 140.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.2 t -135.46 81.95 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.951 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.0 m 50.93 70.28 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 77' ' ' LYS . 4.4 pt-20 -175.31 52.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -38.78 145.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -169.08 -50.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.241 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 30.7 p -165.57 170.57 14.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 108.283 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.565 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -82.64 119.93 24.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.58 117.41 19.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.564 ' CE2' ' HG2' ' A' ' 105' ' ' ARG . 2.7 p90 -145.83 158.03 43.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 111.052 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.8 m -112.99 128.4 56.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.435 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.695 HD23 HD13 ' A' ' 93' ' ' LEU . 2.3 mm? -76.37 102.61 6.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.3 t -79.0 119.77 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 89' ' ' GLU . 4.5 mt -125.83 157.14 69.99 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.67 8.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 111.055 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.54 -56.88 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.608 ' O ' HD12 ' A' ' 86' ' ' LEU . 3.9 tt0 -157.83 151.56 23.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -94.46 131.25 40.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.788 HG11 HD11 ' A' ' 61' ' ' LEU . 60.0 t -119.45 139.49 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.848 ' O ' HD12 ' A' ' 93' ' ' LEU . 34.9 mt-30 -94.09 154.6 17.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.956 HD23 HD21 ' A' ' 24' ' ' LEU . 4.5 mp -141.57 139.1 33.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.88 141.71 42.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.503 HG22 ' CD1' ' A' ' 24' ' ' LEU . 41.6 p -116.44 162.96 16.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.374 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -78.55 -65.18 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.62 150.98 20.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.9 m -60.79 -41.37 95.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 100' ' ' SER . 43.4 tt0 -55.76 -60.53 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 99' ' ' GLU . 0.1 OUTLIER -38.37 -43.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.565 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -50.91 -64.66 3.59 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.495 ' OE2' HG12 ' A' ' 120' ' ' VAL . 0.9 OUTLIER -44.31 -43.43 7.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 110.306 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.615 ' OE1' ' CD2' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -52.86 -69.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.821 ' O ' HD12 ' A' ' 108' ' ' ILE . 94.5 m95 -49.16 -61.83 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 107.972 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.564 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -37.41 -58.22 0.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.33 -59.12 10.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.637 ' CE1' HG21 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -47.19 -45.12 22.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.763 . . . . 0.0 110.97 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.821 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.5 mp -64.78 -60.04 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 35.7 mt -45.57 -26.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.612 HG21 ' O ' ' A' ' 130' ' ' LEU . 62.4 m -81.34 -39.81 24.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.439 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.752 HG22 ' HA ' ' A' ' 108' ' ' ILE . 24.9 m -92.27 28.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.694 ' CG2' HD12 ' A' ' 63' ' ' ILE . 24.4 p -144.35 -46.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -84.79 -13.15 52.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.727 HD21 ' CZ ' ' A' ' 141' ' ' ARG . 1.7 mm? 68.35 24.45 7.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 110' ' ' THR . 0.1 OUTLIER -144.03 -156.73 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.995 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 44.3 t -138.12 124.17 12.81 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 119.12 5.52 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -89.06 16.35 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -116.38 47.37 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.495 HG12 ' OE2' ' A' ' 102' ' ' GLU . 5.1 m -120.84 140.98 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.08 -8.12 59.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.455 ' HA ' HD12 ' A' ' 122' ' ' LEU . 1.8 tp -42.93 159.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.641 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.2 mm? -66.43 170.48 5.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.641 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -75.0 -8.71 20.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.79 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.613 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -96.15 -33.79 6.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 129' ' ' LYS . 4.1 mt-30 -73.16 -50.59 21.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 0.745 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 126' ' ' GLN . 2.1 t -40.55 -40.61 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.613 HD12 ' HA2' ' A' ' 125' ' ' GLY . 33.9 mt -50.67 -49.82 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 126' ' ' GLN . 6.6 mmmm -41.9 -56.49 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.612 ' O ' HG21 ' A' ' 110' ' ' THR . 12.3 mt -48.12 -42.96 30.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 128' ' ' ILE . 3.2 m-70 -63.27 -52.55 61.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.571 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -61.41 -60.16 4.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.637 HG21 ' CE1' ' A' ' 107' ' ' PHE . 48.1 t -42.38 -40.9 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.429 ' CD2' ' HA ' ' A' ' 115' ' ' SER . 3.4 tp -60.38 -72.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -43.88 -26.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.42 ' N ' ' C ' ' A' ' 134' ' ' LEU . 0.3 OUTLIER -68.62 -45.38 72.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.264 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 138' ' ' LYS . 1.6 pt-20 -78.48 -30.34 47.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 26.4 mttm -50.23 -41.68 50.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -58.87 -61.9 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.81 -43.84 8.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.727 ' CZ ' HD21 ' A' ' 114' ' ' LEU . 15.6 mmt180 -50.54 -43.85 56.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 19.3 mt -43.62 -79.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -41.6 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.5 t -102.43 104.4 14.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 179.9 -164.61 32.56 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 76.39 3.4 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.459 1.768 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 41.8 m -84.28 167.83 16.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.02 84.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.475 1.11 . . . . 0.0 110.971 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 46.02 89.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 110.032 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -141.13 150.14 42.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.048 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.4 123.46 3.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 p -177.16 114.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.9 p -174.96 123.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.0 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.58 124.46 3.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.13 76.97 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 64.16 151.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -81.96 -54.72 5.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.1 mt 64.93 124.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -141.77 129.46 21.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -59.41 134.79 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 78.6 m -151.33 145.65 25.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 67.26 151.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.2 mm? -67.23 144.32 98.11 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 111.93 3.44 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 0.0 111.031 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.588 HD21 ' OE2' ' A' ' 21' ' ' GLU . 23.1 tp -59.66 144.72 47.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.564 ' CG ' HG13 ' A' ' 133' ' ' VAL . 18.7 m-85 -130.55 -55.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.544 ' CG ' ' CE2' ' A' ' 107' ' ' PHE . 10.6 t80 -138.07 160.23 39.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.588 ' OE2' HD21 ' A' ' 18' ' ' LEU . 2.3 pm0 -152.33 138.64 18.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.25 132.58 1.69 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -44.64 98.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.746 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.724 HD21 ' CD2' ' A' ' 93' ' ' LEU . 18.0 tp -101.91 155.02 18.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.707 HD23 ' C ' ' A' ' 35' ' ' GLU . 5.7 mt -105.93 127.5 53.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.8 mm -118.33 134.22 62.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.572 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 3.3 tttt -132.63 67.18 1.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.481 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 3.0 mtp180 -64.21 -175.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.57 -22.12 61.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.596 ' O ' ' CD1' ' A' ' 31' ' ' TYR . . . -119.38 84.49 0.37 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 30' ' ' GLY . 7.4 m-85 -159.93 -43.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.82 -51.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -134.63 128.35 32.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.572 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 37.4 m-85 -37.87 143.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.707 ' C ' HD23 ' A' ' 25' ' ' LEU . 45.3 mt-10 -127.75 145.17 51.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.29 123.74 33.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.56 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.456 ' CE1' HG22 ' A' ' 50' ' ' THR . 31.8 m-85 -144.56 141.81 29.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' TYR . 66.8 t-105 -65.62 86.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.6 HG23 ' CD1' ' A' ' 48' ' ' PHE . 91.0 m -82.32 139.16 34.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.379 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -132.19 133.28 44.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.568 HD21 HG21 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -91.3 121.51 33.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 44' ' ' THR . 89.2 mtt180 -137.69 126.96 24.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.89 -92.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.792 ' HB ' HG12 ' A' ' 64' ' ' VAL . 0.7 OUTLIER -145.2 17.47 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 0.738 . . . . 0.0 110.415 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 61' ' ' LEU . 18.2 m -119.92 128.39 53.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.179 . . . . 0.0 110.369 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 31.6 mt -84.59 112.86 20.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -101.39 119.32 38.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.168 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.6 ' CD1' HG23 ' A' ' 39' ' ' THR . 20.7 m-85 -104.29 128.7 52.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.475 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 78.5 m-85 -122.62 167.22 13.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.572 HG23 ' HB ' ' A' ' 58' ' ' VAL . 24.9 p -104.07 -29.29 10.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -161.06 171.18 19.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -30.75 54.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -61.66 -32.53 72.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.53 145.88 21.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.6 mt -97.52 -42.03 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -108.06 165.49 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.51 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 35.9 p90 -88.2 129.88 35.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.572 ' HB ' HG23 ' A' ' 50' ' ' THR . 11.7 p -48.5 -31.81 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -174.94 153.96 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 46' ' ' LEU . 24.7 pttt -130.75 172.22 12.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.729 HD11 HG11 ' A' ' 91' ' ' VAL . 3.3 mt -132.97 -173.65 3.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -147.87 110.79 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.699 HG22 HD21 ' A' ' 86' ' ' LEU . 18.9 pt -125.21 24.65 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.792 HG12 ' HB ' ' A' ' 44' ' ' THR . 1.4 m -67.63 -40.26 83.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.68 24.61 6.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.579 ' HA ' HD23 ' A' ' 86' ' ' LEU . 1.4 tp -42.52 132.58 3.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.03 -36.68 19.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 172.17 -179.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 108.351 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.607 HD12 HD13 ' A' ' 84' ' ' LEU . 2.2 tt -132.42 126.27 32.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.1 p -96.25 175.13 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -128.85 121.07 27.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -83.71 114.71 21.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -53.4 114.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.7 p -107.2 147.69 29.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.991 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.5 m -111.39 120.8 43.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.437 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.75 169.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.3 mptt 56.82 104.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.8 113.96 3.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 94.1 m -151.4 157.8 42.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.31 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.472 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -108.75 117.17 33.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.14 116.69 20.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CD1' HD11 ' A' ' 69' ' ' LEU . 3.8 p90 -145.67 155.84 43.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.7 m -113.9 138.07 50.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.368 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.607 HD13 HD12 ' A' ' 69' ' ' LEU . 1.6 mm? -82.16 109.13 16.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 36.8 t -84.92 118.17 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.954 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.6 mt -123.61 157.16 63.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 0.45 8.91 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.519 1.799 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -114.62 -58.13 2.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.954 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.1 tt0 -158.14 149.93 21.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -90.5 155.3 19.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.729 HG11 HD11 ' A' ' 61' ' ' LEU . 53.6 t -139.11 138.08 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.407 ' O ' HD12 ' A' ' 93' ' ' LEU . 33.5 mt-30 -87.71 145.24 26.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.724 ' CD2' HD21 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -140.17 134.16 30.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -136.49 147.15 47.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.78 HG21 ' HA2' ' A' ' 101' ' ' GLY . 35.5 p -119.55 177.49 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -75.42 -44.55 43.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -146.97 161.72 40.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.1 m -45.43 -47.98 13.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.91 -74.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.251 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.5 m -44.08 -42.86 6.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.78 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -52.44 -58.26 11.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.438 ' OE2' HG12 ' A' ' 120' ' ' VAL . 0.9 OUTLIER -49.34 -41.45 38.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 0.779 . . . . 0.0 110.325 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.95 -68.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.827 ' O ' HD12 ' A' ' 108' ' ' ILE . 90.5 m95 -53.54 -59.73 4.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 108.035 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' TRP . 10.3 ttp180 -37.59 -57.01 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.18 -46.46 79.63 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.549 ' CZ ' ' HG2' ' A' ' 129' ' ' LYS . 0.2 OUTLIER -54.7 -42.18 71.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 111.019 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.827 HD12 ' O ' ' A' ' 104' ' ' TRP . 2.4 mp -68.56 -56.57 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 50.9 mt -46.2 -26.03 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.414 ' N ' ' C ' ' A' ' 108' ' ' ILE . 54.7 m -80.16 -40.55 27.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.708 HG22 ' HA ' ' A' ' 108' ' ' ILE . 34.4 m -92.4 30.34 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 24.0 p -146.2 -47.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.391 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -85.02 -11.18 55.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.646 HD12 ' NE ' ' A' ' 141' ' ' ARG . 2.7 mm? 64.15 25.21 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.364 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.474 ' HA ' HD22 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -142.98 -166.64 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 92.7 t -127.78 120.98 21.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.458 ' O ' HG22 ' A' ' 120' ' ' VAL . 18.2 Cg_endo -75.04 119.48 5.66 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.544 1.813 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -84.11 -15.26 47.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -90.23 61.44 5.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 117' ' ' PRO . 0.4 OUTLIER -129.04 151.58 35.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -12.61 60.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.477 ' HG ' ' CB ' ' A' ' 126' ' ' GLN . 0.1 OUTLIER -51.7 176.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.588 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.1 OUTLIER -106.61 -174.19 0.31 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.588 ' CD ' ' CB ' ' A' ' 123' ' ' LEU . 18.4 Cg_endo -75.02 -19.62 17.63 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.742 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -88.71 -18.65 54.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.467 1.104 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.477 ' CB ' ' HG ' ' A' ' 122' ' ' LEU . 0.7 OUTLIER -92.08 -36.5 13.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.753 . . . . 0.0 110.26 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.7 t -62.0 -27.09 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.742 HD12 ' HA2' ' A' ' 125' ' ' GLY . 49.9 mt -61.86 -40.95 88.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.549 ' HG2' ' CZ ' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -51.76 -60.05 3.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.431 ' CD2' ' HA ' ' A' ' 107' ' ' PHE . 68.6 mt -45.82 -55.26 6.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -43.11 -44.78 5.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.589 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -65.91 -55.33 17.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.564 HG13 ' CG ' ' A' ' 19' ' ' TYR . 97.3 t -51.19 -47.69 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.562 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.6 tp -51.93 -68.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -48.03 -30.82 4.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -52.99 52.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.274 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -71.67 -25.43 62.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.562 ' HG3' HD12 ' A' ' 134' ' ' LEU . 17.8 mttt -52.7 -52.14 57.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.42 -50.6 16.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.86 -51.58 3.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.646 ' NE ' HD12 ' A' ' 114' ' ' LEU . 2.1 mtt180 -38.89 -36.01 0.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 95.5 mt -45.26 -80.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -90.63 72.49 6.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.326 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.75 -59.7 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 138.46 161.18 8.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 114.53 4.05 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.511 1.795 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.3 m -125.17 127.36 46.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 50.8 m -117.7 164.93 14.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.43 117.11 5.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 0.75 . . . . 0.0 110.022 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.6 t -71.75 169.3 15.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.11 -165.59 11.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.0 m -139.72 170.36 16.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 109.987 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 m -159.44 165.62 32.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.42 -160.12 3.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.118 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -169.29 92.62 0.26 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 0.753 . . . . 0.0 110.274 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -173.73 -46.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.3 100.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -77.1 -174.7 3.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.93 85.27 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -119.1 141.65 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.3 m -97.34 86.69 3.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.447 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.74 179.57 7.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.497 HD23 ' HZ ' ' A' ' 47' ' ' PHE . 3.8 mm? -53.06 145.01 25.47 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 16' ' ' LEU . 18.4 Cg_endo -74.93 110.97 3.22 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.498 1.789 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.431 HD21 ' OE1' ' A' ' 21' ' ' GLU . 6.4 tp -64.58 137.56 57.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.725 ' CG ' HG13 ' A' ' 133' ' ' VAL . 25.0 m-85 -120.9 -36.97 3.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 107' ' ' PHE . 55.8 t80 -160.94 151.56 18.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' OE1' HD21 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -139.09 161.21 37.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.45 131.07 1.2 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.524 1.14 . . . . 0.0 111.048 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -44.13 111.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.835 HD21 ' CD2' ' A' ' 93' ' ' LEU . 28.0 tp -114.5 156.45 24.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 34' ' ' TYR . 11.4 mt -104.71 128.21 52.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.409 ' CD1' ' CE1' ' A' ' 48' ' ' PHE . 12.0 mm -115.99 134.87 57.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.54 ' HE2' ' CD2' ' A' ' 34' ' ' TYR . 6.5 ttpt -132.73 114.37 14.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.426 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 6.5 mtp180 -130.89 -177.61 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.48 99.7 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.83 -48.87 0.95 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.152 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.452 ' O ' ' CB ' ' A' ' 32' ' ' ARG . 15.2 m-85 -38.38 -52.15 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 111.048 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 31' ' ' TYR . 0.3 OUTLIER 80.9 -51.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -135.27 132.28 37.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.688 ' HB3' HD22 ' A' ' 25' ' ' LEU . 47.8 m-85 -37.84 130.58 1.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.683 ' C ' HD23 ' A' ' 25' ' ' LEU . 71.0 mm-40 -109.39 140.37 43.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.593 ' CE1' HD21 ' A' ' 25' ' ' LEU . 72.5 m80 -86.7 104.09 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.585 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.519 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 33.0 m-85 -127.16 139.03 53.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -64.07 92.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 108.02 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.541 HG22 ' CH2' ' A' ' 104' ' ' TRP . 23.1 m -82.71 142.94 31.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.434 ' OE1' ' CE1' ' A' ' 49' ' ' TYR . 20.5 mt-10 -135.67 123.15 22.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.613 HD21 HG21 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -91.01 118.27 30.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.404 ' HG2' HD12 ' A' ' 18' ' ' LEU . 24.1 mtm180 -138.59 127.04 23.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.15 -103.84 0.39 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.0 p -139.67 28.23 2.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 0.761 . . . . 0.0 110.377 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 61' ' ' LEU . 2.4 m -133.04 125.77 30.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.366 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.8 mt -79.01 119.35 22.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.497 ' HZ ' HD23 ' A' ' 16' ' ' LEU . 60.4 m-85 -105.64 134.0 49.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.412 ' O ' HG12 ' A' ' 58' ' ' VAL . 24.2 m-85 -118.68 129.46 55.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 56' ' ' ILE . 47.1 m-85 -118.06 156.3 28.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.473 HG23 ' HB2' ' A' ' 54' ' ' SER . 76.6 p -60.03 -51.89 67.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.414 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -157.58 -51.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.7 tttt 176.34 -36.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.406 ' O ' ' CG1' ' A' ' 55' ' ' ILE . 63.7 mmtt -85.28 8.63 17.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -59.28 -21.53 59.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.528 ' HB ' HD12 ' A' ' 56' ' ' ILE . 0.6 OUTLIER 67.81 -65.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.697 HG22 ' HD1' ' A' ' 57' ' ' TYR . 4.4 mp -92.32 -113.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.697 ' HD1' HG22 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -162.89 149.26 12.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 48' ' ' PHE . 5.5 p -82.1 -33.48 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.73 160.89 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.426 ' HD2' HG21 ' A' ' 45' ' ' THR . 6.3 pttt -139.01 175.64 9.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.529 ' O ' HG23 ' A' ' 45' ' ' THR . 11.7 mt -148.89 160.63 43.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -121.56 127.57 51.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.809 HD12 ' CG2' ' A' ' 112' ' ' THR . 10.3 pt -125.79 20.46 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.9 p -68.54 -32.24 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.6 19.43 20.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.661 ' HA ' HD23 ' A' ' 86' ' ' LEU . 1.1 tp -45.87 126.93 7.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -78.38 -46.4 20.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.1 m -175.8 -178.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 108.307 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.506 HD12 HD13 ' A' ' 84' ' ' LEU . 1.2 tt -131.53 126.9 36.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.401 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 36.8 p -101.37 171.84 7.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.409 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -129.92 116.86 19.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -76.48 131.85 39.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -42.54 152.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.24 173.42 11.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.1 p -66.86 -58.35 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -176.28 77.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.255 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 44.7 79.11 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.375 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -121.61 -55.67 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 32.1 p -138.99 166.16 25.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 108.295 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.41 129.47 35.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -135.94 113.32 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.482 ' CD1' HD11 ' A' ' 69' ' ' LEU . 4.3 p90 -144.01 154.62 43.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 91' ' ' VAL . 2.3 m -113.59 140.03 48.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.426 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 84' ' ' LEU . 1.3 mm? -85.27 114.39 22.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.5 t -93.06 118.44 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.661 HD23 ' HA ' ' A' ' 66' ' ' LEU . 4.0 mt -123.69 156.53 64.72 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.29 9.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -112.49 -55.46 2.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.599 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.0 tt0 -159.39 150.72 20.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -95.67 143.44 26.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.607 ' O ' HG23 ' A' ' 83' ' ' THR . 74.6 t -126.89 152.17 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -102.75 134.09 46.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.835 ' CD2' HD21 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -126.35 151.61 47.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.252 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.503 ' HE2' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -154.02 141.99 20.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.655 HG21 ' HA2' ' A' ' 101' ' ' GLY . 39.6 p -112.06 157.5 20.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.97 -63.77 1.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -96.04 139.11 32.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -44.07 -42.4 6.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -51.94 -60.18 3.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.77 -39.08 1.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.014 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.655 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -54.09 -68.35 1.7 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.43 -37.34 16.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.78 . . . . 0.0 110.269 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.99 -67.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.838 ' O ' HD12 ' A' ' 108' ' ' ILE . 95.6 m95 -54.37 -62.19 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 108.027 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -38.19 -48.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.62 -61.27 3.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 20' ' ' PHE . 5.9 m-85 -43.64 -45.1 6.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.838 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.8 mp -65.22 -62.19 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.3 mt -45.24 -25.43 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.546 HG21 ' O ' ' A' ' 130' ' ' LEU . 99.1 m -81.14 -41.01 23.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.427 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.635 HG22 ' HA ' ' A' ' 108' ' ' ILE . 26.9 m -91.64 30.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.809 ' CG2' HD12 ' A' ' 63' ' ' ILE . 23.7 p -147.99 -44.88 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.444 ' C ' ' N ' ' A' ' 115' ' ' SER . 7.4 mt-10 -97.16 9.64 41.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.762 HD21 ' HE ' ' A' ' 141' ' ' ARG . 4.5 mp 40.04 29.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.444 ' N ' ' C ' ' A' ' 113' ' ' GLU . 5.5 t -140.86 168.36 19.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.056 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.482 HG13 ' HB2' ' A' ' 130' ' ' LEU . 56.3 t -110.5 118.08 49.68 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.12 5.94 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.489 1.784 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.1 -12.84 40.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -85.9 48.94 1.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 32.8 m -122.24 -177.84 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 122' ' ' LEU . 0.1 OUTLIER -120.9 -3.44 9.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.962 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.698 HD22 ' CB ' ' A' ' 126' ' ' GLN . 3.3 mt -45.94 171.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.767 HD22 ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -97.03 -178.69 0.77 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.552 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.08 -9.07 20.51 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -93.31 -30.7 8.98 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.549 1.156 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.698 ' CB ' HD22 ' A' ' 122' ' ' LEU . 21.7 mm100 -86.81 -60.15 2.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.73 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.494 ' C ' ' O ' ' A' ' 126' ' ' GLN . 15.0 t -33.59 -51.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 124' ' ' PRO . 68.4 mt -41.58 -54.84 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 126' ' ' GLN . 7.4 mmmm -38.06 -59.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.546 ' O ' HG21 ' A' ' 110' ' ' THR . 5.3 mt -44.36 -48.83 9.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 128' ' ' ILE . 1.8 m-70 -57.35 -62.06 2.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.591 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -54.21 -60.37 3.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.725 HG13 ' CG ' ' A' ' 19' ' ' TYR . 74.7 t -44.21 -46.78 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.479 HD23 HG23 ' A' ' 116' ' ' VAL . 3.2 tp -54.98 -73.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -48.5 -22.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -52.35 23.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 110.251 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.559 ' OE2' HD12 ' A' ' 114' ' ' LEU . 9.8 pt-20 -73.13 -37.76 66.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 32.4 mttt -42.76 -49.29 5.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 142' ' ' ILE . 0.7 OUTLIER -55.99 -52.29 64.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 4.3 ttp85 -41.27 -41.66 1.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.762 ' HE ' HD21 ' A' ' 114' ' ' LEU . 3.5 mmt180 -50.42 -42.76 54.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.249 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 139' ' ' LYS . 54.4 mt -41.53 -77.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -41.31 -59.33 1.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.324 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 39.5 t -140.06 133.21 29.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.032 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 145.33 -171.45 26.41 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 173.45 14.49 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.11 129.0 24.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.018 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 37.5 t -124.5 -58.09 1.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.032 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -148.12 119.53 7.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.754 . . . . 0.0 109.991 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.54 80.17 1.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.048 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.87 134.16 4.99 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.37 93.18 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 110.039 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.2 -57.91 3.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.988 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.97 -85.42 0.38 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 56.56 80.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.774 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -97.36 139.32 33.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.277 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -125.11 85.06 2.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 mp -86.88 157.19 19.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -88.78 -65.75 0.99 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.098 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.403 ' O ' ' HB ' ' A' ' 14' ' ' THR . 3.3 mt -89.07 140.57 15.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 13' ' ' ILE . 4.7 t -176.51 141.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.42 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.23 -75.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.524 HD23 ' CZ ' ' A' ' 47' ' ' PHE . 2.7 mm? -63.16 142.55 97.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 119.28 5.58 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 tp -64.24 138.67 58.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.797 ' CG ' HG13 ' A' ' 133' ' ' VAL . 17.6 m-85 -125.07 -40.3 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.554 ' HB2' ' CE2' ' A' ' 107' ' ' PHE . 7.6 t80 -161.56 149.2 14.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.04 141.41 36.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.17 143.39 4.5 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -54.2 104.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 0.743 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.771 HD21 HD23 ' A' ' 93' ' ' LEU . 14.0 tp -102.25 153.01 20.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.71 HD23 ' O ' ' A' ' 35' ' ' GLU . 13.7 mt -104.81 120.94 42.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.503 HG21 ' HD2' ' A' ' 28' ' ' ARG . 11.7 mm -113.14 131.91 63.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -126.24 55.86 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.503 ' HD2' HG21 ' A' ' 26' ' ' ILE . 7.7 mtp180 -57.09 170.5 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.8 p -65.26 77.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 28' ' ' ARG . . . 143.62 62.9 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.521 ' O ' ' CB ' ' A' ' 32' ' ' ARG . 2.7 m-85 -146.6 -58.12 0.29 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 0.766 . . . . 0.0 111.057 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' ' 31' ' ' TYR . 2.9 tpt85 87.27 -40.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -134.87 124.59 25.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.652 ' HB3' HD22 ' A' ' 25' ' ' LEU . 47.7 m-85 -48.52 131.73 17.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.71 ' O ' HD23 ' A' ' 25' ' ' LEU . 13.4 mm-40 -110.38 144.37 39.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.537 ' CE1' HD21 ' A' ' 25' ' ' LEU . 73.7 m80 -89.07 117.04 27.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.593 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.463 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 33.0 m-85 -133.79 138.22 45.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -68.46 85.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 107.988 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.424 HG22 ' CH2' ' A' ' 104' ' ' TRP . 3.6 m -82.02 146.8 29.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.412 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -135.24 127.69 30.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.567 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.8 OUTLIER -90.77 122.7 33.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.355 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.41 ' N ' HD23 ' A' ' 41' ' ' LEU . 17.5 mtp180 -142.94 127.69 18.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 54.23 -96.31 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.6 p -147.33 21.14 1.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 110.384 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 m -124.55 116.24 22.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.443 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.2 mt -74.73 117.37 16.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.557 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 67.4 m-85 -106.06 132.97 51.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.413 ' CE2' HD12 ' A' ' 61' ' ' LEU . 6.7 m-85 -118.45 143.89 46.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 47' ' ' PHE . 39.1 m-85 -144.42 139.24 28.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.45 HG23 ' HB ' ' A' ' 58' ' ' VAL . 5.1 p -48.83 -37.21 18.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.4 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.44 -164.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -64.43 -44.68 90.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' SER . 3.8 mmmm -50.58 -23.44 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.465 ' CB ' ' HB3' ' A' ' 49' ' ' TYR . 88.0 p -38.85 118.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.81 -56.19 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 64.2 mt -107.66 -81.91 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER 179.36 148.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.45 ' HB ' HG23 ' A' ' 50' ' ' THR . 13.1 p -85.56 -31.96 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.502 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . 0.7 OUTLIER 174.62 169.26 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -149.36 167.42 26.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.413 HD12 ' CE2' ' A' ' 48' ' ' PHE . 12.7 mt -138.05 176.74 8.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -135.82 133.55 37.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.64 HD12 HG23 ' A' ' 108' ' ' ILE . 12.1 pt -130.16 15.86 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.75 -40.26 83.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.52 18.72 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.519 ' HA ' HD23 ' A' ' 86' ' ' LEU . 1.3 tp -48.7 128.48 15.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.478 ' HB ' HG12 ' A' ' 85' ' ' VAL . 1.1 m -80.01 -33.04 39.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 169.66 -177.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 108.342 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.728 HD12 HD13 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -137.95 131.55 31.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 71' ' ' GLU . 9.1 t -117.08 -169.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.417 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.45 ' N ' ' OG1' ' A' ' 70' ' ' THR . 8.6 mt-10 -129.03 112.9 14.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -121.7 125.2 46.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -79.81 175.01 11.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.95 -71.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.2 m -83.12 151.77 25.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.418 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.96 178.11 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 68.09 132.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -69.91 111.01 5.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -142.83 170.13 16.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 108.296 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.36 114.25 13.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -133.73 114.87 13.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.482 ' CD1' HD11 ' A' ' 69' ' ' LEU . 4.1 p90 -144.8 157.77 44.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 91' ' ' VAL . 3.0 m -116.76 139.52 50.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.728 HD13 HD12 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -87.1 114.14 23.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.478 HG12 ' HB ' ' A' ' 67' ' ' THR . 46.7 t -88.22 117.81 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.736 HD12 ' O ' ' A' ' 89' ' ' GLU . 2.9 mt -121.98 156.82 59.16 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.21 9.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.462 1.769 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -113.03 -58.36 2.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.736 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.2 tt0 -156.03 148.51 23.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.81 134.02 34.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 83' ' ' THR . 73.6 t -115.69 148.17 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -104.99 140.13 38.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.771 HD23 HD21 ' A' ' 24' ' ' LEU . 1.9 mp -130.47 146.74 52.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.97 147.4 31.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.7 p -127.47 152.9 46.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -100.23 46.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 168.14 155.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 95.6 m -81.08 -25.97 36.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.438 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -63.88 -65.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.0 m -58.48 -31.42 67.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.958 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.93 -54.9 32.0 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.522 ' HB3' HD13 ' A' ' 122' ' ' LEU . 2.2 mt-10 -66.3 -37.81 86.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 0.728 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.601 ' OE1' ' CD2' ' A' ' 107' ' ' PHE . 0.1 OUTLIER -52.9 -66.34 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.827 ' O ' HD12 ' A' ' 108' ' ' ILE . 88.9 m95 -52.33 -64.59 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 108.05 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 104' ' ' TRP . 9.5 ttp180 -37.33 -42.71 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.68 -67.77 1.78 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.679 ' CE1' HG21 ' A' ' 133' ' ' VAL . 1.4 m-85 -42.42 -40.99 2.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.763 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.827 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.6 mp -65.25 -60.48 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 51.2 mt -44.65 -26.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 115' ' ' SER . 91.8 m -80.1 -42.52 23.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.454 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.648 HG22 ' HA ' ' A' ' 108' ' ' ILE . 27.3 m -90.1 29.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 63' ' ' ILE . 19.3 p -142.87 -45.59 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.442 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -88.71 -17.03 30.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 73.68 22.24 2.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.671 ' O ' HG23 ' A' ' 110' ' ' THR . 1.2 t -141.67 -157.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.6 HG13 ' HB2' ' A' ' 130' ' ' LEU . 38.9 t -137.37 127.86 15.87 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 115.72 4.36 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -89.17 -18.18 27.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -93.64 27.05 2.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.563 HG22 ' H ' ' A' ' 121' ' ' SER . 0.6 OUTLIER -82.3 -171.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.563 ' H ' HG22 ' A' ' 120' ' ' VAL . 0.4 OUTLIER -116.17 -28.82 6.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.959 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.522 HD13 ' HB3' ' A' ' 102' ' ' GLU . 1.5 tp -40.02 158.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.648 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.2 mm? -65.41 170.88 3.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.648 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.5 Cg_endo -75.03 -8.37 19.98 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.767 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -96.51 -33.89 6.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 129' ' ' LYS . 4.3 mt-30 -72.74 -48.44 38.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 110.308 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 t -43.25 -35.56 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.767 HD12 ' HA2' ' A' ' 125' ' ' GLY . 24.2 mt -52.89 -45.14 50.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 126' ' ' GLN . 5.2 mmmm -46.5 -52.03 14.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.604 HD22 ' HA ' ' A' ' 107' ' ' PHE . 5.5 mt -53.16 -46.61 68.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.401 ' HA ' HG21 ' A' ' 116' ' ' VAL . 6.4 m-70 -53.58 -52.94 58.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.56 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -66.75 -58.4 5.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.797 HG13 ' CG ' ' A' ' 19' ' ' TYR . 39.5 t -44.82 -36.79 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.402 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 5.6 tp -59.23 -70.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 138' ' ' LYS . 2.5 pt-20 -43.39 -36.44 1.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 1.7 mpt_? -58.89 -60.35 4.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.47 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 0.9 OUTLIER -63.69 -26.79 68.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.47 ' N ' ' HG2' ' A' ' 137' ' ' GLU . 15.1 mttm -52.58 -57.83 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 138' ' ' LYS . 12.7 mmtt -39.82 -46.97 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 15.2 ttp85 -76.46 -35.51 58.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.483 ' HG3' ' N ' ' A' ' 142' ' ' ILE . 0.0 OUTLIER -58.28 -25.09 61.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.483 ' N ' ' HG3' ' A' ' 141' ' ' ARG . 91.9 mt -51.19 -82.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 142' ' ' ILE . 37.3 mt-10 -38.25 -67.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.68 116.55 28.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -153.35 -176.72 26.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 159.61 41.06 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 40.5 p -93.43 160.93 14.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 25.6 p -42.36 144.31 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.64 140.54 49.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 0.0 109.972 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.46 94.05 1.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.995 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.0 96.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.15 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.27 102.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.74 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.4 p -179.59 94.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.76 74.41 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.09 -58.4 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.785 . . . . 0.0 110.302 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -59.21 122.57 14.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 12' ' ' LYS . 17.2 mmt180 -69.0 -50.29 50.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.2 mt 66.0 -75.13 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 10' ' ' ARG . 7.0 ttpt -40.18 -57.76 1.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mm 65.52 -77.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 12' ' ' LYS . 31.2 m 60.93 90.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.42 74.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.544 HD13 ' CE2' ' A' ' 47' ' ' PHE . 2.1 mt -117.25 113.7 38.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HB3' ' NH1' ' A' ' 136' ' ' ARG . 18.4 Cg_endo -74.99 118.92 5.44 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.451 1.764 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.471 HD21 ' CD ' ' A' ' 21' ' ' GLU . 15.5 tp -57.28 149.41 20.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.634 ' CG ' HG13 ' A' ' 133' ' ' VAL . 21.6 m-85 -129.53 -46.5 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.521 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 9.8 t80 -150.95 150.65 31.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.471 ' CD ' HD21 ' A' ' 18' ' ' LEU . 9.3 pm0 -147.25 144.88 29.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.54 131.88 1.37 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -41.04 102.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 0.715 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.757 HD21 ' CD2' ' A' ' 93' ' ' LEU . 21.6 tp -108.07 149.1 28.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.009 HD21 ' CD2' ' A' ' 36' ' ' HIS . 11.3 mt -100.87 130.23 46.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.2 mm -113.31 130.47 67.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.564 ' HB2' ' CD1' ' A' ' 34' ' ' TYR . 9.7 tttt -125.8 71.81 1.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.567 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -48.08 173.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.0 m -54.36 -47.74 72.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.043 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.73 73.12 0.22 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.567 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -126.75 115.38 19.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 0.783 . . . . 0.0 111.011 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -38.84 -30.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 31' ' ' TYR . 3.0 pt-20 174.07 170.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.585 ' HB3' HD22 ' A' ' 25' ' ' LEU . 60.0 m-85 -52.49 124.02 12.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.534 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 38.7 mm-40 -101.89 135.81 42.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 1.009 ' CD2' HD21 ' A' ' 25' ' ' LEU . 11.3 m80 -88.25 120.53 29.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.632 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 29.8 m-85 -150.31 136.18 18.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' TYR . 70.6 t-105 -61.42 89.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 108.012 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.546 HG23 ' CD1' ' A' ' 48' ' ' PHE . 53.1 m -82.47 135.49 35.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.424 ' OE1' ' NH2' ' A' ' 42' ' ' ARG . 20.5 mt-10 -126.21 127.98 46.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.341 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -91.3 119.32 31.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.424 ' NH2' ' OE1' ' A' ' 40' ' ' GLU . 29.8 mtt180 -137.65 128.38 26.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 49.85 -95.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.411 HG22 ' HB ' ' A' ' 111' ' ' VAL . 7.1 p -144.65 23.78 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.1 m -126.94 119.85 27.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.8 mt -79.02 119.13 21.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.544 ' CE2' HD13 ' A' ' 16' ' ' LEU . 81.1 m-85 -110.15 118.78 37.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.546 ' CD1' HG23 ' A' ' 39' ' ' THR . 10.1 m-85 -102.16 138.01 39.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.536 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 70.8 m-85 -132.19 168.54 17.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.8 p -79.22 -47.74 15.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 110.375 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.54 -70.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.12 -59.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.35 -31.96 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -50.58 120.63 4.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.4 mm -84.91 -50.81 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' TYR . 15.2 mm -90.67 97.57 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.536 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 49.5 p90 -37.42 133.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.4 p -55.86 -45.06 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.358 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -158.18 160.92 37.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -143.03 168.62 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 61' ' ' LEU . 11.9 mt -147.29 159.49 43.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -125.93 127.73 46.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.67 HD12 HG23 ' A' ' 108' ' ' ILE . 27.4 pt -126.46 25.96 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.3 p -69.41 -40.88 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.08 20.17 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.504 HD13 HD12 ' A' ' 84' ' ' LEU . 5.4 tp -51.2 130.88 27.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.1 m -81.27 -35.37 31.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 175.44 -173.82 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.522 HD12 HD13 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -131.69 129.95 41.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.5 p -105.83 168.21 9.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -129.62 115.28 17.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -65.42 114.29 4.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -144.34 142.38 30.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.45 -55.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 110.019 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.5 m -112.06 148.94 32.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.405 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -43.8 98.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.34 -173.8 2.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -153.42 172.73 16.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 77.1 m 61.97 157.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 108.318 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.58 127.45 33.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -136.02 114.48 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.521 ' CD1' HD11 ' A' ' 69' ' ' LEU . 7.1 p90 -139.09 156.79 46.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.9 m -114.63 145.13 42.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.445 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.605 HD22 ' N ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -90.67 102.07 14.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.247 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.9 t -76.92 103.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.903 HD12 ' O ' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -110.9 156.15 41.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 1.16 8.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.488 1.783 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -113.72 -59.16 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.903 ' O ' HD12 ' A' ' 86' ' ' LEU . 5.3 tt0 -155.94 149.35 24.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -88.86 144.2 26.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.4 t -132.59 138.13 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -92.83 148.43 22.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.757 ' CD2' HD21 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -136.16 133.6 37.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -144.0 141.65 30.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.645 HG22 ' CD1' ' A' ' 24' ' ' LEU . 10.0 p -114.01 -165.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.386 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.86 -68.65 0.79 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.362 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -89.07 166.44 13.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.8 m -70.55 -46.04 64.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.409 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -51.77 -64.41 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 m -42.23 -32.47 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.97 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.409 ' HA2' HG21 ' A' ' 95' ' ' THR . . . -56.11 -63.3 5.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.145 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -53.41 -33.3 53.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 0.763 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.521 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 2.5 tt0 -52.97 -66.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.825 ' O ' HD12 ' A' ' 108' ' ' ILE . 77.3 m95 -53.16 -65.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -37.67 -41.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.37 -62.22 4.8 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.659 ' HA ' HD22 ' A' ' 130' ' ' LEU . 4.9 m-85 -52.32 -39.06 60.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 110.978 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.825 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.6 mp -65.1 -61.45 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.8 mt -44.46 -26.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 134' ' ' LEU . 64.3 m -79.15 -44.17 22.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.371 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.542 HG22 ' HA ' ' A' ' 108' ' ' ILE . 20.6 m -88.68 30.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.406 HG21 HD22 ' A' ' 66' ' ' LEU . 25.1 p -145.64 -45.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.368 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -86.79 -16.16 37.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.248 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.425 ' HG ' ' NH2' ' A' ' 141' ' ' ARG . 1.3 mm? 70.88 18.83 5.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' A' ' 110' ' ' THR . 0.1 OUTLIER -145.96 176.91 9.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.979 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.61 HG13 ' HB2' ' A' ' 130' ' ' LEU . 37.8 t -107.9 126.57 29.5 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.522 1.801 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -89.37 -17.65 28.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.359 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -92.55 23.06 4.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.565 HG22 ' H ' ' A' ' 121' ' ' SER . 0.7 OUTLIER -78.98 -171.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.565 ' H ' HG22 ' A' ' 120' ' ' VAL . 0.3 OUTLIER -116.97 -31.61 5.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.014 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 122' ' ' LEU . 1.2 tp -40.12 159.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.622 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.4 mm? -66.44 169.86 6.7 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.622 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.2 Cg_endo -75.0 -7.05 18.81 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.492 1.785 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.826 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -97.02 -35.17 5.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -73.21 -43.49 61.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 0.735 . . . . 0.0 110.242 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.9 -38.71 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.826 HD12 ' HA2' ' A' ' 125' ' ' GLY . 14.3 mt -47.53 -41.87 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -49.03 -50.39 36.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.659 HD22 ' HA ' ' A' ' 107' ' ' PHE . 9.9 mt -55.53 -47.21 76.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.477 ' HA ' HG21 ' A' ' 116' ' ' VAL . 9.2 m-70 -50.12 -56.58 10.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.616 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.91 -55.9 12.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.65 HG21 ' CE1' ' A' ' 107' ' ' PHE . 32.2 t -48.14 -35.07 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.533 HD11 ' HD3' ' A' ' 138' ' ' LYS . 4.8 tp -61.59 -74.93 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.417 ' O ' ' CD ' ' A' ' 139' ' ' LYS . 33.6 mt-10 -44.34 -25.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.416 ' N ' ' C ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -64.85 -38.34 90.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.536 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 1.2 pt-20 -88.77 -31.43 18.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.536 ' N ' ' HG2' ' A' ' 137' ' ' GLU . 6.6 mtmp? -53.62 -32.6 51.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.417 ' CD ' ' O ' ' A' ' 135' ' ' GLU . 1.7 mptt -63.88 -49.19 73.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.462 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 48.1 mtp85 -47.04 -37.41 9.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.425 ' NH2' ' HG ' ' A' ' 114' ' ' LEU . 0.7 OUTLIER -51.92 -38.42 56.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 71.6 mt -42.21 -79.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -49.67 -58.85 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 5.6 t -98.07 91.24 5.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.954 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 178.28 171.65 41.85 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 150.98 38.77 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 13.6 m -95.56 141.52 28.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.035 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.44 -58.2 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.041 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 p -130.61 -50.65 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.978 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.41 -87.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.981 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.03 102.14 0.21 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -164.51 112.05 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -130.83 146.27 52.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.55 -172.06 47.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -162.37 94.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 46.64 68.08 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 98.74 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 mp -48.12 163.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.76 100.71 13.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mp -113.11 143.81 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.682 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 3.8 t -158.14 153.79 26.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 82.78 -68.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.825 HD11 ' N ' ' A' ' 43' ' ' GLY . 20.3 tp -110.15 101.98 49.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.469 ' CG ' ' HD2' ' A' ' 136' ' ' ARG . 18.4 Cg_endo -75.03 137.73 22.02 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.77 HD12 ' CG ' ' A' ' 42' ' ' ARG . 4.7 tp -74.67 144.48 43.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.52 ' CD2' HG13 ' A' ' 133' ' ' VAL . 22.2 m-30 -116.82 -40.47 3.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 103' ' ' GLU . 9.7 t80 -158.37 156.18 30.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -152.09 132.92 14.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.545 ' HA2' ' CZ3' ' A' ' 38' ' ' TRP . . . 178.72 157.17 18.79 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.599 ' CD1' ' CE1' ' A' ' 36' ' ' HIS . 5.1 m-85 -70.85 100.8 1.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 0.721 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.687 HD21 HD23 ' A' ' 93' ' ' LEU . 7.6 tp -99.55 157.02 16.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.568 HD22 ' HB3' ' A' ' 34' ' ' TYR . 13.0 mt -108.21 124.85 50.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 mm -113.59 143.73 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HD3' ' CD2' ' A' ' 34' ' ' TYR . 24.0 ttpt -146.95 65.17 1.17 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.765 ' HD3' HD11 ' A' ' 61' ' ' LEU . 7.9 mtm105 -67.45 -156.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 p -90.28 94.28 9.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.71 37.8 0.53 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.562 1.163 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.444 ' O ' ' HB2' ' A' ' 32' ' ' ARG . 8.1 m-85 -122.47 -34.89 3.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 0.762 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 31' ' ' TYR . 2.2 mmm180 69.55 -54.35 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 31' ' ' TYR . 7.0 mt-10 -131.83 125.32 31.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.568 ' HB3' HD22 ' A' ' 25' ' ' LEU . 31.1 m-85 -39.39 133.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 54.9 mt-10 -105.76 128.0 53.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.599 ' CE1' ' CD1' ' A' ' 23' ' ' PHE . 55.3 t-80 -71.85 119.2 15.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.605 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 32.5 m-85 -145.71 139.85 26.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.545 ' CZ3' ' HA2' ' A' ' 22' ' ' GLY . 60.8 t-105 -66.42 88.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.9 m -81.58 120.27 24.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -113.99 129.26 56.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 107' ' ' PHE . 0.2 OUTLIER -91.14 124.25 35.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.77 ' CG ' HD12 ' A' ' 18' ' ' LEU . 7.2 mtt180 -153.51 126.84 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.825 ' N ' HD11 ' A' ' 16' ' ' LEU . . . 34.71 67.03 0.28 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.699 HG22 ' HB ' ' A' ' 111' ' ' VAL . 6.2 p 40.16 58.62 2.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 110.35 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.9 m -157.07 102.61 1.98 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.43 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.3 mt -72.77 107.92 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -99.11 118.82 36.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.675 ' CZ ' HD12 ' A' ' 61' ' ' LEU . 8.1 m-85 -98.59 132.23 44.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 57' ' ' TYR . 61.0 m-85 -129.75 159.51 36.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.1 p -71.04 -35.3 71.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.89 -71.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.8 tttt -171.71 -61.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.366 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.58 -40.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.7 t -40.91 120.71 1.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -81.96 -54.93 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' TYR . 38.4 mm -87.94 93.99 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 37.1 p90 -37.91 136.69 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 48' ' ' PHE . 13.1 p -53.28 -32.77 19.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.07 157.63 1.87 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.437 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 8.0 pttt -136.07 159.16 42.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.765 HD11 ' HD3' ' A' ' 28' ' ' ARG . 2.9 mt -127.99 168.52 15.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.54 130.14 51.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.419 ' O ' HG22 ' A' ' 112' ' ' THR . 1.2 pp -142.97 53.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.8 p -103.94 -32.31 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.31 15.39 23.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.68 ' HA ' HD23 ' A' ' 86' ' ' LEU . 11.3 tp -40.67 134.72 1.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.11 -33.27 20.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 174.13 -171.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.403 HD11 ' CD1' ' A' ' 82' ' ' PHE . 1.3 tt -137.06 126.94 25.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.509 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 24.9 p -102.52 169.26 8.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -128.78 149.19 50.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -94.36 138.24 32.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -42.47 137.41 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.81 -57.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.95 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.2 m 61.77 150.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.38 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 64.12 159.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -42.61 131.36 3.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 79' ' ' CYS . 6.6 p-10 178.59 168.98 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.429 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 60.8 m -46.53 159.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 108.264 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.401 ' O ' ' OG1' ' A' ' 95' ' ' THR . . . -102.86 115.15 30.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -126.12 115.9 20.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.509 ' CB ' ' O ' ' A' ' 70' ' ' THR . 4.2 p90 -145.92 156.64 43.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 91' ' ' VAL . 2.9 m -111.0 138.29 47.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.416 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.734 HD23 HD13 ' A' ' 93' ' ' LEU . 1.2 mm? -85.55 104.34 15.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.1 t -81.65 118.91 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.68 HD23 ' HA ' ' A' ' 66' ' ' LEU . 5.7 mt -121.64 157.76 55.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 2.09 7.02 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -114.48 -57.56 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 8.8 tt0 -154.27 156.47 37.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 7.6 mt-10 -94.92 132.12 40.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.261 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.674 ' O ' HG23 ' A' ' 83' ' ' THR . 55.6 t -115.08 150.01 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -101.4 138.8 37.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.734 HD13 HD23 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -135.33 134.34 39.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -135.62 145.98 47.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 80' ' ' ALA . 2.9 p -122.76 146.03 47.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.412 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -102.66 44.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 176.31 165.02 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.8 p -85.58 -46.9 10.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.55 -57.03 14.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.29 -34.46 33.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.37 -62.81 5.61 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -53.88 -34.57 59.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 110.337 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -58.01 -68.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.265 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.793 ' O ' HD12 ' A' ' 108' ' ' ILE . 98.5 m95 -56.28 -63.25 1.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 107.991 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 104' ' ' TRP . 4.4 ttp180 -38.11 -33.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -83.61 -69.47 1.38 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.547 ' CE2' ' CD1' ' A' ' 20' ' ' PHE . 10.7 m-85 -38.46 -40.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.78 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.793 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.7 mp -66.26 -62.77 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.1 mt -43.46 -26.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.547 HG21 ' O ' ' A' ' 130' ' ' LEU . 62.9 m -79.89 -43.43 22.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.455 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.699 ' HB ' HG22 ' A' ' 44' ' ' THR . 23.2 m -88.83 29.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.513 HG21 HD22 ' A' ' 66' ' ' LEU . 12.3 p -144.76 -44.18 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.393 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 114' ' ' LEU . 7.3 mt-10 -102.88 12.43 36.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.485 ' HA ' HD12 ' A' ' 114' ' ' LEU . 1.6 tp 37.32 34.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.429 ' N ' ' C ' ' A' ' 113' ' ' GLU . 0.6 OUTLIER -141.3 173.95 11.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.639 HG13 ' HB2' ' A' ' 130' ' ' LEU . 45.8 t -116.0 119.56 36.83 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 139.75 24.55 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.68 -5.88 18.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -92.22 29.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 17.7 m -107.05 139.21 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 122' ' ' LEU . 0.6 OUTLIER -82.61 6.71 16.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.803 HD22 ' CB ' ' A' ' 126' ' ' GLN . 3.0 mt -50.2 -177.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.591 ' CB ' ' CD ' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -110.35 -174.14 0.28 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.682 ' O ' HD12 ' A' ' 128' ' ' ILE . 18.2 Cg_endo -74.99 -19.21 18.1 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.476 1.777 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.2 -34.01 13.39 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.803 ' CB ' HD22 ' A' ' 122' ' ' LEU . 16.6 mm100 -81.74 -61.7 1.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 0.772 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.479 ' C ' ' O ' ' A' ' 126' ' ' GLN . 24.3 t -34.19 -55.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.682 HD12 ' O ' ' A' ' 124' ' ' PRO . 53.6 mt -40.4 -54.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.475 ' HB3' ' CE1' ' A' ' 107' ' ' PHE . 10.5 mmmm -38.55 -55.99 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.639 ' HB2' HG13 ' A' ' 116' ' ' VAL . 3.7 mt -47.47 -47.38 27.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 128' ' ' ILE . 2.0 m-70 -58.71 -57.32 13.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.613 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -57.61 -59.84 4.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.607 HG12 ' OE1' ' A' ' 137' ' ' GLU . 55.9 t -43.56 -47.19 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.403 HD12 ' HG3' ' A' ' 138' ' ' LYS . 3.1 tp -52.12 -72.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.77 -34.31 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.469 ' HD2' ' CG ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -60.93 -66.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.607 ' OE1' HG12 ' A' ' 133' ' ' VAL . 1.2 pt-20 -59.95 -26.25 65.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.449 ' N ' ' HG2' ' A' ' 137' ' ' GLU . 18.0 mttm -52.14 -63.2 1.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 142' ' ' ILE . 30.3 mmtt -44.95 -50.66 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 144' ' ' SER . 4.4 mtp85 -42.99 -29.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 142' ' ' ILE . 3.3 mmp_? -64.29 -42.11 96.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 139' ' ' LYS . 34.0 mt -39.68 -76.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -95.32 68.68 3.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 140' ' ' ARG . 2.4 t -179.53 138.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.994 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 115.73 158.09 11.52 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -173.94 1.75 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.512 1.796 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 15.9 p -73.4 142.63 46.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.01 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.61 170.47 1.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.13 . . . . 0.0 111.016 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t -178.63 146.37 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 109.982 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.7 p -178.52 96.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.16 139.78 2.76 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.448 1.092 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -160.18 137.55 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.959 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.5 p -102.98 113.13 26.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.987 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.91 -138.16 2.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -128.99 86.27 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -93.29 108.41 20.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.71 104.5 15.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 110.271 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.5 172.78 13.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.14 161.35 15.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.2 tt -41.85 145.69 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.1 m 43.22 83.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.362 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.92 116.49 29.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.703 HD23 ' HA3' ' A' ' 43' ' ' GLY . 0.6 OUTLIER -60.5 143.53 89.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.256 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 112.54 3.58 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.523 1.801 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.794 HD21 ' CD ' ' A' ' 21' ' ' GLU . 9.2 tp -62.33 137.46 58.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.597 ' CG ' HG13 ' A' ' 133' ' ' VAL . 22.3 m-85 -116.82 -38.22 3.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 103' ' ' GLU . 7.3 t80 -158.44 151.77 23.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.794 ' CD ' HD21 ' A' ' 18' ' ' LEU . 12.2 pm0 -150.02 138.49 20.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.97 132.21 1.58 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 111.027 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -41.87 98.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.855 HD11 HG22 ' A' ' 95' ' ' THR . 8.9 tp -101.28 157.99 16.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.683 HD21 ' CE1' ' A' ' 36' ' ' HIS . 11.8 mt -113.21 129.68 56.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 34' ' ' TYR . 12.9 mm -118.06 137.5 51.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.594 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 18.3 ttpt -111.84 -13.1 13.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.422 ' HA ' HG13 ' A' ' 91' ' ' VAL . 1.1 mtt180 40.35 -91.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -175.89 78.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.995 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.61 -31.46 0.93 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.496 ' CE1' ' CG ' ' A' ' 35' ' ' GLU . 8.5 m-85 -55.43 -54.88 38.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.776 . . . . 0.0 111.031 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.48 -52.65 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.479 ' O ' ' HB2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -97.96 9.08 43.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.35 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.594 ' CE1' ' HB2' ' A' ' 27' ' ' LYS . 17.2 m-85 58.37 150.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.569 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 11.8 mm-40 -113.88 126.63 55.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.683 ' CE1' HD21 ' A' ' 25' ' ' LEU . 77.1 m80 -70.03 130.16 41.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 17.0 m-85 -158.47 133.16 8.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.422 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 43.7 t-105 -61.6 86.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.529 HG23 ' CD1' ' A' ' 48' ' ' PHE . 90.2 m -82.6 137.34 34.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.573 ' HB2' HD11 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -139.44 140.54 37.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.579 HD22 ' HD2' ' A' ' 19' ' ' TYR . 0.9 OUTLIER -90.39 119.04 30.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.54 ' O ' ' C ' ' A' ' 43' ' ' GLY . 20.3 mtt180 -135.42 126.26 27.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.703 ' HA3' HD23 ' A' ' 16' ' ' LEU . . . 25.07 81.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.928 HG22 ' HB ' ' A' ' 111' ' ' VAL . 71.0 p 32.92 60.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.788 . . . . 0.0 110.398 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.865 HG22 ' CE2' ' A' ' 47' ' ' PHE . 1.4 m -167.61 106.18 0.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.1 mt -74.56 127.09 32.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.865 ' CE2' HG22 ' A' ' 45' ' ' THR . 46.8 m-85 -115.77 118.01 31.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.782 ' O ' HG12 ' A' ' 58' ' ' VAL . 10.9 m-85 -95.77 115.96 28.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.548 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 64.6 m-85 -110.73 167.28 10.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.4 p -81.54 -23.36 37.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.413 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 38' ' ' TRP . 8.6 m-20 -176.81 -81.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -161.84 -59.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -41.44 -33.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.8 t -46.75 126.57 8.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.7 mt -79.56 -45.0 23.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.571 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.2 pp -113.77 127.92 70.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.548 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 35.0 p90 -55.55 136.86 49.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.782 HG12 ' O ' ' A' ' 48' ' ' PHE . 12.4 p -54.47 -31.41 23.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -176.33 158.28 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -137.17 164.76 27.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.457 ' CD1' HG11 ' A' ' 91' ' ' VAL . 6.6 mt -139.01 150.69 46.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.03 134.52 50.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.3 pt -129.44 15.69 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.6 -34.36 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.2 14.15 21.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.571 ' HA ' HD23 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -42.23 131.83 3.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -85.84 -30.98 22.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.437 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 168.98 -178.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 108.31 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.81 132.31 51.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.9 p -107.78 170.94 7.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.438 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -129.03 153.22 47.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -116.52 113.33 22.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.83 158.08 6.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -163.58 165.09 23.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.8 m -122.54 -59.51 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -76.29 111.94 12.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.15 109.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -89.36 106.48 18.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 67.0 m -116.39 164.75 14.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.29 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.15 113.71 12.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -136.72 122.26 19.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -149.86 156.46 41.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 m -112.25 139.96 47.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 84' ' ' LEU . 1.2 mm? -86.37 115.11 23.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.8 t -92.97 118.63 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 89' ' ' GLU . 5.8 mt -123.89 157.73 62.31 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 1.67 7.5 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.963 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.27 -59.04 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.586 ' O ' HD12 ' A' ' 86' ' ' LEU . 10.1 tt0 -154.92 150.43 27.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -95.23 131.26 41.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.457 HG11 ' CD1' ' A' ' 61' ' ' LEU . 92.7 t -116.55 143.83 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -94.88 149.54 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.576 HD23 HD21 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -136.89 138.47 40.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -147.05 133.5 19.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.855 HG22 HD11 ' A' ' 24' ' ' LEU . 17.6 p -109.85 -177.24 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.42 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.05 -62.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -85.88 122.05 29.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.6 m -39.3 -48.5 1.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.414 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -53.04 -54.62 32.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.65 -35.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.74 -57.16 20.87 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -50.6 -32.57 19.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.622 ' OE1' ' CD2' ' A' ' 107' ' ' PHE . 0.5 OUTLIER -63.37 -67.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.87 ' O ' HD12 ' A' ' 108' ' ' ILE . 91.9 m95 -53.26 -61.96 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 104' ' ' TRP . 8.0 ttt180 -37.04 -51.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.9 -69.67 1.25 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.69 ' CE1' HG21 ' A' ' 133' ' ' VAL . 1.8 m-85 -39.36 -44.49 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.87 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.9 mp -68.06 -59.91 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.456 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 22.8 mt -46.19 -21.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.938 HG23 ' O ' ' A' ' 115' ' ' SER . 94.7 m -83.75 -58.77 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 110.415 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.928 ' HB ' HG22 ' A' ' 44' ' ' THR . 12.7 m -62.72 -11.33 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 108' ' ' ILE . 32.8 p -99.27 -59.98 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -69.58 -22.95 63.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 110.343 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 110' ' ' THR . 0.2 OUTLIER 78.29 15.34 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.938 ' O ' HG23 ' A' ' 110' ' ' THR . 0.1 OUTLIER -138.33 -158.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 97.2 t -127.53 122.64 22.79 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 135.79 19.53 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.525 1.802 . . . . 0.0 110.954 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.71 -8.77 42.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.35 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -89.62 52.98 2.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 19.1 m -127.49 135.15 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.23 -3.93 56.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.002 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.505 ' HA ' HD12 ' A' ' 122' ' ' LEU . 1.6 tp -47.35 160.62 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.616 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.2 mm? -64.9 169.56 5.26 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.616 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.03 -8.31 19.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.801 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.737 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -96.65 -34.45 5.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -73.31 -43.45 60.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.06 -33.44 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.737 HD12 ' HA2' ' A' ' 125' ' ' GLY . 34.9 mt -54.43 -47.49 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -44.17 -54.68 5.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.445 HD23 ' CD1' ' A' ' 107' ' ' PHE . 50.0 mt -48.68 -41.51 31.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -66.47 -41.3 89.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.596 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -69.45 -53.9 16.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.69 HG21 ' CE1' ' A' ' 107' ' ' PHE . 62.8 t -51.81 -42.0 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.566 HD12 ' HG3' ' A' ' 138' ' ' LYS . 5.6 tp -55.92 -65.75 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -50.31 -32.06 16.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.57 -61.82 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 138' ' ' LYS . 1.1 pt-20 -64.24 -25.3 68.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.566 ' HG3' HD12 ' A' ' 134' ' ' LEU . 11.6 mttm -51.13 -56.99 9.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 142' ' ' ILE . 61.7 mmtt -44.48 -52.43 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.76 -42.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.42 ' NE ' HD11 ' A' ' 114' ' ' LEU . 3.3 mtm180 -48.89 -46.78 43.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 139' ' ' LYS . 6.5 mt -45.94 -82.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -43.48 -64.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.18 155.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -142.87 -152.52 5.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.778 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 25.7 p 179.37 -56.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.959 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 96.7 p -67.49 111.8 4.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 m -111.89 164.02 13.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -132.01 159.85 37.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.21 127.51 1.64 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.453 1.095 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -137.2 156.7 48.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 0.813 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 t -139.18 136.33 34.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.021 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.6 -103.49 2.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.43 1.081 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -91.82 133.9 35.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 110.285 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -57.76 -59.58 5.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 50.62 91.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.8 mt -85.7 122.65 30.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.246 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -121.07 139.56 53.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mp -126.33 134.92 65.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.253 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.1 m -145.92 -54.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.376 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.92 -179.41 4.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.505 ' CB ' ' HB3' ' A' ' 42' ' ' ARG . 4.1 mm? -65.01 161.39 48.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.472 ' O ' ' O ' ' A' ' 18' ' ' LEU . 18.3 Cg_endo -74.99 -15.51 20.72 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.776 HD23 ' H ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER 55.7 159.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.777 ' CD2' HG13 ' A' ' 133' ' ' VAL . 23.1 m-85 -144.58 -41.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.601 ' CE1' ' OE2' ' A' ' 103' ' ' GLU . 7.7 t80 -142.65 164.66 29.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.586 ' HB2' ' CZ2' ' A' ' 38' ' ' TRP . 0.1 OUTLIER -161.02 109.9 1.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.43 144.32 9.41 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.413 ' CE1' ' HB2' ' A' ' 38' ' ' TRP . 8.1 m-85 -51.19 111.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.893 HD21 HD23 ' A' ' 93' ' ' LEU . 20.7 tp -112.92 152.08 29.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.851 HD22 ' HB3' ' A' ' 34' ' ' TYR . 14.8 mt -99.38 121.51 41.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.4 mm -108.93 123.79 65.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -122.99 116.04 22.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -132.4 178.19 7.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.38 83.62 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.995 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.7 45.86 0.08 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.445 1.09 . . . . 0.0 110.965 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.465 ' O ' ' CB ' ' A' ' 32' ' ' ARG . 2.8 m-85 -134.57 -44.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 82.18 -49.87 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -136.58 150.84 48.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.851 ' HB3' HD22 ' A' ' 25' ' ' LEU . 77.6 m-85 -62.88 123.23 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.653 ' C ' HD23 ' A' ' 25' ' ' LEU . 48.9 mt-10 -100.6 130.07 46.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.412 ' CE1' HD21 ' A' ' 25' ' ' LEU . 51.0 m80 -77.19 117.53 18.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.605 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.477 ' CE2' ' HB3' ' A' ' 35' ' ' GLU . 29.1 m-85 -137.16 138.45 40.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.586 ' CZ2' ' HB2' ' A' ' 21' ' ' GLU . 75.6 t-105 -64.06 94.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.021 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.609 HG23 ' CD1' ' A' ' 48' ' ' PHE . 74.5 m -92.96 146.87 23.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.48 ' HG2' ' CB ' ' A' ' 21' ' ' GLU . 41.7 mt-10 -138.42 133.23 32.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.547 ' HB2' ' CZ3' ' A' ' 104' ' ' TRP . 0.9 OUTLIER -90.82 116.36 28.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.577 ' HD2' ' CD1' ' A' ' 47' ' ' PHE . 84.3 mtt180 -123.73 130.12 52.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' ARG . . . 36.03 -94.49 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.558 1.161 . . . . 0.0 111.056 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 42' ' ' ARG . 3.2 p -134.03 11.01 3.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.444 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.546 HG22 ' CE1' ' A' ' 47' ' ' PHE . 8.0 m -116.46 125.7 52.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.347 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.5 mt -86.65 125.01 33.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.577 ' CD1' ' HD2' ' A' ' 42' ' ' ARG . 73.7 m-85 -115.92 129.46 56.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.609 ' CD1' HG23 ' A' ' 39' ' ' THR . 12.2 m-85 -110.64 144.3 39.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.502 ' CD1' ' HA ' ' A' ' 57' ' ' TYR . 88.9 m-85 -137.25 165.19 26.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.9 p -73.57 -47.95 36.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.403 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.456 ' O ' ' CG ' ' A' ' 38' ' ' TRP . 2.5 m-20 -144.99 -65.53 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -176.53 -54.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -43.38 -36.23 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.2 t -50.2 121.94 6.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -85.25 -54.32 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' TYR . 4.1 mp -86.51 98.61 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.502 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 51.1 p90 -37.57 133.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.1 p -55.68 -38.46 50.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -165.42 155.11 12.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.484 ' HD3' ' CZ ' ' A' ' 57' ' ' TYR . 9.9 pttt -134.12 166.93 21.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.555 HD12 ' CZ ' ' A' ' 48' ' ' PHE . 6.9 mt -139.3 170.04 16.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.87 ' OD1' HG12 ' A' ' 64' ' ' VAL . 6.7 t0 -133.21 128.36 35.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.667 HG22 HD21 ' A' ' 86' ' ' LEU . 20.6 pt -133.38 28.07 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.87 HG12 ' OD1' ' A' ' 62' ' ' ASP . 14.3 p -72.91 -32.33 39.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.495 ' OD1' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -99.32 19.07 16.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.237 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.487 HD13 HD12 ' A' ' 84' ' ' LEU . 1.2 tp -44.05 130.72 6.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 m -85.61 -33.36 21.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.384 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 172.66 -179.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 108.282 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.541 HD12 HD13 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -130.87 128.28 40.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.458 ' O ' ' CB ' ' A' ' 82' ' ' PHE . 32.0 p -105.29 174.16 6.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -129.77 115.38 17.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -70.31 129.29 38.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -44.21 148.02 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 59.6 p -164.26 115.94 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 m -72.24 139.63 48.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.37 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 59.15 162.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -49.84 104.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.3 159.1 28.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 26.4 p -50.59 164.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 108.249 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.463 ' HB3' ' HA3' ' A' ' 101' ' ' GLY . . . -77.05 115.1 16.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -120.54 119.02 31.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.531 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 2.9 p90 -143.44 155.8 44.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 m -112.1 134.38 53.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.595 HD23 HD13 ' A' ' 93' ' ' LEU . 1.6 mm? -80.69 108.96 14.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 44.2 t -86.97 111.15 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.945 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.2 mt -116.04 156.38 46.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.72 8.57 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.791 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -114.44 -58.08 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.945 ' O ' HD12 ' A' ' 86' ' ' LEU . 4.2 tt0 -157.69 148.31 20.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.233 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -89.36 158.11 17.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.1 t -142.3 145.91 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -102.31 132.33 48.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.893 HD23 HD21 ' A' ' 24' ' ' LEU . 3.1 mp -119.47 161.2 20.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -154.27 155.86 35.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.465 HG22 ' CD1' ' A' ' 24' ' ' LEU . 2.6 p -133.37 173.1 11.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -83.56 -75.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.77 178.33 6.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 53.3 m -76.88 -47.68 20.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.393 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -44.81 -61.35 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 95.0 p -41.14 -46.85 3.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.995 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.463 ' HA3' ' HB3' ' A' ' 80' ' ' ALA . . . -46.36 -62.14 3.72 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -56.61 -33.02 65.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.601 ' OE2' ' CE1' ' A' ' 20' ' ' PHE . 2.1 mt-10 -60.05 -63.07 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.282 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.843 ' O ' HD12 ' A' ' 108' ' ' ILE . 68.7 m95 -57.02 -67.21 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 107.975 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.531 ' HG3' ' CE2' ' A' ' 82' ' ' PHE . 0.1 OUTLIER -37.1 -68.73 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -43.77 -46.66 7.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.677 ' CE1' HG21 ' A' ' 133' ' ' VAL . 0.5 OUTLIER -65.61 -41.38 92.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 110.976 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.843 HD12 ' O ' ' A' ' 104' ' ' TRP . 1.5 mp -65.91 -58.96 4.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 36.8 mt -46.17 -25.59 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.652 HG21 ' O ' ' A' ' 130' ' ' LEU . 82.9 m -80.77 -40.72 24.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.387 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.689 HG22 ' HA ' ' A' ' 108' ' ' ILE . 35.5 m -91.65 28.68 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.3 p -143.73 -45.71 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -86.51 -15.54 39.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.742 HD21 ' NE ' ' A' ' 141' ' ' ARG . 1.4 mm? 70.67 24.93 4.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.551 ' O ' HG23 ' A' ' 110' ' ' THR . 1.6 t -144.35 -160.44 1.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.444 HG13 ' HB2' ' A' ' 130' ' ' LEU . 61.7 t -133.94 122.74 16.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 145.72 31.97 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -106.36 -5.4 19.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -90.74 40.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.406 HG21 HG22 ' A' ' 127' ' ' VAL . 19.9 m -115.08 131.01 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.43 -10.85 59.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.483 ' HA ' HD12 ' A' ' 122' ' ' LEU . 1.5 tp -42.92 161.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.614 ' HB3' ' HD2' ' A' ' 124' ' ' PRO . 1.1 mm? -66.52 169.57 7.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.614 ' HD2' ' HB3' ' A' ' 123' ' ' LEU . 18.3 Cg_endo -75.0 -7.67 19.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.735 ' HA2' HD12 ' A' ' 128' ' ' ILE . . . -96.75 -34.81 5.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 129' ' ' LYS . 2.3 mm100 -73.19 -45.41 56.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 110.342 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.406 HG22 HG21 ' A' ' 120' ' ' VAL . 2.1 t -46.1 -34.14 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.735 HD12 ' HA2' ' A' ' 125' ' ' GLY . 23.3 mt -56.53 -43.4 78.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 126' ' ' GLN . 5.7 mmmm -46.49 -51.77 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.652 ' O ' HG21 ' A' ' 110' ' ' THR . 14.3 mt -51.42 -42.31 61.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.416 ' HA ' HG21 ' A' ' 116' ' ' VAL . 1.2 m-70 -63.83 -48.49 76.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.635 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -64.8 -60.94 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.777 HG13 ' CD2' ' A' ' 19' ' ' TYR . 67.6 t -42.85 -40.73 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.475 ' O ' ' CG ' ' A' ' 137' ' ' GLU . 4.0 tp -56.03 -67.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.435 ' HA ' ' HB2' ' A' ' 138' ' ' LYS . 1.8 pt-20 -44.35 -41.18 5.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 1.0 OUTLIER -54.26 -52.66 60.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 134' ' ' LEU . 4.5 pt-20 -69.99 -31.54 69.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 25.8 mttm -51.21 -41.65 60.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 142' ' ' ILE . 0.0 OUTLIER -59.39 -62.4 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 -42.97 -42.59 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.742 ' NE ' HD21 ' A' ' 114' ' ' LEU . 11.3 mmt180 -53.24 -40.76 64.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 139' ' ' LYS . 34.9 mt -42.38 -78.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -38.89 -61.08 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.0 t 67.46 170.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.035 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -170.17 -170.05 34.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.12 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.12 6.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.438 1.757 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.9 t -141.73 -57.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 20.2 m 63.44 154.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.038 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 -180.0 . . . . . . . . 0 0 . 1 stop_ save_