data_1wyj_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 1wyj _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 ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.479 ' CG2' ' CG2' ' A' ' 99' ' ' ILE . 5.3 t -108.84 -32.35 7.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.407 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.478 HG13 ' CG2' ' A' ' 12' ' ' THR . 9.6 mt -127.81 147.72 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 p -136.28 116.87 13.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 110.431 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.509 ' CE2' ' HA3' ' A' ' 28' ' ' GLY . 4.4 m-85 -97.23 168.59 10.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.4 p -126.71 122.08 33.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.99 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.61 140.88 29.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.983 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.471 HD11 ' CB ' ' A' ' 65' ' ' ASN . 2.2 tp -73.67 112.9 10.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.6 t -75.2 -45.82 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.509 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 174.74 -179.65 45.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 42.5 m-80 -97.92 140.72 31.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.757 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.459 HD22 ' CG2' ' A' ' 90' ' ' VAL . 9.1 tp -110.47 -50.25 2.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.466 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -69.26 -31.51 70.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.7 -24.09 25.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.405 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -62.53 -63.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.427 HD23 ' CD1' ' A' ' 13' ' ' ILE . 12.9 mt -67.03 -11.31 56.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.63 11.25 80.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 mt -79.45 175.04 10.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 0.793 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.5 t -105.99 147.37 28.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.947 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -44.09 -51.23 8.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.99 -55.58 7.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -54.04 -40.72 67.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.466 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -70.8 -30.9 67.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.11 -54.74 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -49.55 -48.61 48.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.374 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -87.12 13.63 9.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 36.41 89.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.459 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -98.77 119.76 38.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.57 172.27 11.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.45 HG13 ' CD2' ' A' ' 66' ' ' LEU . 16.0 mm -102.99 132.44 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.361 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.468 ' CD2' HD22 ' A' ' 68' ' ' LEU . 75.4 mt -147.01 153.62 40.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -154.75 103.17 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.8 tp -78.56 107.18 11.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.452 ' HG2' ' CD2' ' A' ' 67' ' ' LEU . 7.6 pt-20 -52.53 -33.68 46.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 46' ' ' ALA . 23.0 mt-30 66.8 26.1 9.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -106.33 -48.03 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.89 0.12 8.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.38 57.52 4.24 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.471 ' CB ' HD11 ' A' ' 26' ' ' LEU . 30.7 m-20 -130.35 131.92 45.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.787 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.474 ' CD1' ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -78.97 122.89 26.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.452 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 1.7 mm? -110.25 139.42 45.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.468 HD22 ' CD2' ' A' ' 57' ' ' LEU . 79.1 mt -80.92 144.42 31.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.62 -60.87 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.34 -175.66 4.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -74.78 116.38 15.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 88.5 mt -125.73 134.97 65.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.473 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -71.91 150.25 44.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -110.13 112.41 24.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.604 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.546 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 4.5 p90 -148.53 172.1 15.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -153.6 143.47 21.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.459 ' CG2' HD22 ' A' ' 30' ' ' LEU . 98.7 t -88.61 116.83 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.3 tp -93.13 136.89 32.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.9 mt -127.46 146.82 50.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 94' ' ' SER . 13.1 mttt -97.37 175.43 6.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 42.3 p -35.12 111.66 0.44 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.035 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.1 Cg_endo -75.11 122.65 8.39 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.967 0.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.414 ' N ' ' HA ' ' A' ' 94' ' ' SER . 24.0 t -56.67 126.83 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 98' ' ' PHE . 3.8 tm0? -152.97 153.44 32.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.414 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 72.4 m-85 -135.93 148.5 48.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.479 ' CG2' ' CG2' ' A' ' 12' ' ' THR . 3.8 mp -124.16 159.75 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.402 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 8.5 mt-30 -113.47 81.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.546 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -81.7 -177.74 51.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -155.87 155.85 33.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.756 . . . . 0.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.473 ' HB ' ' CB ' ' A' ' 86' ' ' LEU . 10.2 mt -123.26 109.86 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -90.97 144.3 25.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.488 HG22 ' CG2' ' A' ' 99' ' ' ILE . 3.6 t -97.36 -32.75 11.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.408 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.464 ' CG2' ' OD2' ' A' ' 33' ' ' ASP . 9.0 mt -135.44 149.87 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.6 p -135.54 116.88 14.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.348 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.513 ' CZ ' HD12 ' A' ' 66' ' ' LEU . 4.2 m-85 -96.87 162.16 13.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.6 p -131.12 106.4 8.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.54 137.67 54.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 110.004 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.422 HD13 ' N ' ' A' ' 27' ' ' VAL . 2.3 tp -81.28 112.7 18.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.464 ' CG2' ' HG ' ' A' ' 68' ' ' LEU . 56.5 t -77.14 -42.7 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.445 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 169.18 179.65 41.29 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.4 ' O ' ' OH ' ' A' ' 15' ' ' TYR . 3.3 m-20 -93.03 139.26 30.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.475 HD21 ' CG2' ' A' ' 90' ' ' VAL . 9.9 tp -107.94 -63.28 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.468 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -61.58 -36.44 80.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.16 -20.15 52.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.464 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -70.96 -47.68 57.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.8 mt -89.12 12.9 14.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.69 14.44 29.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' ALA . 40.4 mt -77.01 168.53 19.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -105.84 149.04 26.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.032 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.46 ' CD2' ' O ' ' A' ' 63' ' ' SER . 1.5 mm? -48.11 -60.32 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -41.98 -47.55 4.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -48.79 80.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.255 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.468 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -63.66 -26.54 68.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mp -79.39 -52.85 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.9 p -54.98 -46.17 75.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.433 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' GLY . 25.6 mtm180 -83.09 5.61 21.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 44' ' ' ARG . . . 40.7 93.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.442 ' O ' ' CD2' ' A' ' 59' ' ' LEU . . . -101.58 132.52 47.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -138.82 163.52 32.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.3 mm -98.75 131.51 45.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.48 HD11 ' CD2' ' A' ' 66' ' ' LEU . 18.9 mt -120.78 158.16 28.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -154.77 114.08 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.442 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 4.9 tp -80.59 113.54 18.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -39.99 -55.56 2.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 1.9 tt0 86.09 -47.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -73.56 -18.86 61.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.46 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 1.6 m -116.18 -47.93 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.948 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.11 42.66 2.03 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.039 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -130.59 156.42 44.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.777 . . . . 0.0 109.343 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.513 HD12 ' CZ ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -91.1 108.58 19.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.477 ' CD2' ' HB2' ' A' ' 60' ' ' GLU . 2.4 mm? -102.54 149.48 24.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.464 ' HG ' ' CG2' ' A' ' 27' ' ' VAL . 3.6 mt -89.55 168.44 12.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.8 -54.28 3.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -153.62 175.08 13.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -50.59 133.93 24.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 83.5 mt -106.84 131.59 56.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 tt -73.32 151.01 41.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -110.87 113.42 25.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.547 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -143.19 171.42 14.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.28 138.67 17.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.475 ' CG2' HD21 ' A' ' 30' ' ' LEU . 11.4 t -87.93 113.89 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.8 tp -91.33 135.68 33.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.7 mt -128.42 147.48 50.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 94' ' ' SER . 10.1 mttm -99.26 175.35 5.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 93' ' ' LYS . 87.2 p -33.34 110.3 0.35 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.3 Cg_endo -75.03 122.98 8.64 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.965 -2.515 . . . . 0.0 110.978 -0.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.6 t -60.28 137.97 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -170.52 145.17 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.338 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -123.95 158.84 31.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.488 ' CG2' HG22 ' A' ' 12' ' ' THR . 4.4 mp -131.41 165.48 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.483 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 5.5 mt-30 -131.85 80.49 1.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.16 -168.41 44.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -147.47 161.49 40.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 110.267 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.4 mt -130.6 105.25 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -92.11 140.05 30.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.461 HG21 ' CG2' ' A' ' 99' ' ' ILE . 5.9 t -102.46 -32.04 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.443 HG13 ' CG2' ' A' ' 12' ' ' THR . 14.0 mt -128.89 150.23 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -135.75 117.03 14.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.564 ' CE2' HD13 ' A' ' 66' ' ' LEU . 2.9 m-85 -101.53 163.86 12.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.8 p -122.0 115.42 22.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.402 HG13 ' CG2' ' A' ' 103' ' ' ILE . 5.4 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.6 147.25 25.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.449 HD13 ' CB ' ' A' ' 65' ' ' ASN . 1.3 tp -79.64 113.67 17.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.44 HG21 ' CD2' ' A' ' 57' ' ' LEU . 39.4 t -73.27 -47.96 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.528 ' CA ' ' CE2' ' A' ' 15' ' ' TYR . . . 175.46 174.8 42.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.4 ' OD1' ' OD1' ' A' ' 65' ' ' ASN . 26.8 m-20 -89.16 130.53 35.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 0.76 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.477 ' CD1' HD12 ' A' ' 66' ' ' LEU . 1.1 tp -101.82 -61.67 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.468 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -52.27 -42.46 63.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -40.94 65.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -45.23 -62.24 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.438 HD21 ' CD1' ' A' ' 13' ' ' ILE . 11.7 mt -69.67 -23.34 63.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.97 16.64 53.94 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.427 1.079 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 77.8 mt -84.87 144.49 28.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 0.725 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 m -73.96 143.91 45.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 39' ' ' ARG . 1.2 mm? -40.99 -59.93 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 38' ' ' LEU . 2.9 ttp180 -38.41 -54.76 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.69 -53.52 46.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.468 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -58.73 -25.11 62.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -81.15 -55.62 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.4 p -53.56 -44.93 69.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' GLY . 54.0 mtp180 -83.75 6.8 19.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.246 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 44' ' ' ARG . . . 36.78 91.8 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.425 ' CB ' HD11 ' A' ' 41' ' ' LEU . . . -101.34 127.62 47.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.7 159.37 41.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.44 ' CG2' ' HB2' ' A' ' 57' ' ' LEU . 12.7 mm -94.26 129.92 43.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.495 ' CD2' HD23 ' A' ' 68' ' ' LEU . 93.1 mt -147.86 154.96 41.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -155.12 107.24 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.5 tp -79.56 98.28 6.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.485 ' HG2' ' CD2' ' A' ' 67' ' ' LEU . 9.0 pt-20 -46.16 -29.13 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 62.91 26.31 15.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -106.43 -49.06 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.72 13.95 7.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.05 57.15 18.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.449 ' CB ' HD13 ' A' ' 26' ' ' LEU . 28.4 m-20 -128.24 135.62 49.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.753 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.564 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -83.1 122.98 29.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.485 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 1.6 mm? -112.73 138.53 49.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.495 HD23 ' CD2' ' A' ' 57' ' ' LEU . 12.4 mt -80.16 143.47 33.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.53 -55.33 8.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -146.42 -177.24 5.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -65.68 110.94 2.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 54.0 mt -102.59 133.33 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.05 148.29 45.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -106.12 113.88 27.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.581 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.558 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.8 p90 -147.57 172.99 13.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 88' ' ' PHE . 10.1 mp0 -154.15 152.56 30.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.349 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 61.5 t -100.34 110.02 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.6 tp -84.8 137.7 33.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.1 mt -128.25 148.46 50.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.488 ' O ' ' C ' ' A' ' 94' ' ' SER . 21.5 mttm -100.63 174.02 6.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 93' ' ' LYS . 89.4 p -32.11 109.6 0.3 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.3 Cg_endo -75.04 123.69 9.36 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.991 0.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.8 t -61.46 134.86 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -170.99 152.09 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -128.2 156.24 43.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 100' ' ' GLN . 3.8 mp -123.04 163.16 22.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.463 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 7.0 mt-30 -117.65 81.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.558 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -83.59 -177.8 51.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -151.04 153.91 36.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.437 HG13 ' CD2' ' A' ' 88' ' ' PHE . 19.0 mt -125.27 104.36 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 15' ' ' TYR . 20.8 mt-30 -76.34 149.36 37.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 tp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.474 ' CG2' HG13 ' A' ' 13' ' ' ILE . 5.2 t -96.77 -32.02 12.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.441 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.474 HG13 ' CG2' ' A' ' 12' ' ' THR . 8.2 mt -132.84 149.81 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 p -135.32 117.42 15.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.386 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.523 ' CZ ' HD11 ' A' ' 66' ' ' LEU . 4.1 m-85 -97.78 160.83 14.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.7 p -132.06 105.17 7.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.77 135.34 41.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 tp -80.45 113.54 18.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.0 t -76.55 -45.81 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.463 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 172.72 -175.31 45.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.408 ' O ' ' OH ' ' A' ' 15' ' ' TYR . 8.8 m-20 -100.61 140.22 35.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.469 HD22 ' CG2' ' A' ' 90' ' ' VAL . 6.3 tp -109.27 -60.36 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.47 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -61.78 -26.54 68.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.5 -21.7 22.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.427 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -69.51 -54.43 14.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.4 mt -73.22 -7.41 51.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.41 13.38 83.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.0 mt -84.51 177.13 8.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.752 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.88 155.18 24.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.0 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 63' ' ' SER . 3.0 mm? -44.38 -60.32 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.98 -56.53 2.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -52.13 -46.97 65.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.482 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -66.81 -27.93 67.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -76.75 -56.21 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.9 p -49.08 -47.63 44.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 45' ' ' GLY . 17.8 mtm180 -86.33 12.9 9.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' ARG . . . 36.86 91.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.482 ' CB ' ' CD1' ' A' ' 41' ' ' LEU . . . -99.35 125.64 45.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 0.792 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -141.09 158.19 44.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.235 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.9 mm -90.27 131.84 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.2 mp . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.443 HD12 ' CD2' ' A' ' 66' ' ' LEU . 30.9 mt -132.46 153.02 51.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -155.6 105.71 2.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -78.24 131.65 37.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.337 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 12.3 pt-20 -98.78 111.17 23.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -72.16 -4.13 27.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.38 -10.37 59.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.496 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -148.0 -50.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.61 58.53 0.6 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -135.02 162.15 33.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 0.788 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.523 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -96.61 103.48 15.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.442 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 1.1 mm? -101.84 156.13 17.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 mt -90.4 168.29 11.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.476 ' HA ' ' CE ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -91.14 -36.83 13.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -170.13 -177.85 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -55.73 125.53 21.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 mm? . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.419 ' O ' ' CE1' ' A' ' 87' ' ' HIS . 76.8 mt -122.53 134.89 64.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -72.17 151.09 43.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.419 ' CE1' ' O ' ' A' ' 85' ' ' ILE . 1.3 m-70 -110.51 112.91 25.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.558 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.463 ' CD2' HG13 ' A' ' 103' ' ' ILE . 4.8 p90 -147.3 174.32 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -153.01 172.07 17.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.469 ' CG2' HD22 ' A' ' 30' ' ' LEU . 19.5 t -122.2 114.07 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.575 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 10.1 tp -90.96 135.74 33.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.1 mt -126.59 146.35 50.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 94' ' ' SER . 5.6 mttm -97.32 175.1 6.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.456 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 68.4 p -35.31 111.86 0.45 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.1 Cg_endo -75.01 122.55 8.29 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.948 0.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.409 ' N ' ' HA ' ' A' ' 94' ' ' SER . 17.5 t -58.09 132.36 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 98' ' ' PHE . 40.8 tt0 -160.32 148.98 16.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.575 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 19.3 m-85 -127.46 157.98 38.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.472 ' CG2' ' N ' ' A' ' 100' ' ' GLN . 4.6 mp -133.81 165.82 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.472 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 5.3 mt-30 -133.4 85.55 2.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -89.21 -170.77 45.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -147.61 158.59 44.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.463 HG13 ' CD2' ' A' ' 88' ' ' PHE . 28.7 mt -127.04 107.7 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -97.2 144.63 26.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 tp . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.456 ' HB2' ' CG ' ' A' ' 102' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.478 ' CG2' ' CG2' ' A' ' 99' ' ' ILE . 6.8 t -103.59 -32.18 9.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.474 HG13 ' CG2' ' A' ' 12' ' ' THR . 13.8 mt -129.48 148.83 33.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 p -136.37 116.86 13.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.488 ' OH ' ' CD1' ' A' ' 30' ' ' LEU . 5.0 m-85 -96.18 156.62 16.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.5 p -122.23 108.66 13.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.409 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -118.37 131.54 56.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 0.731 . . . . 0.0 110.001 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.407 HD12 ' CB ' ' A' ' 65' ' ' ASN . 3.6 tp -80.91 111.49 17.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.3 t -78.39 -41.02 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.81 166.23 19.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 1.0 OUTLIER -83.1 140.22 32.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.488 ' CD1' ' OH ' ' A' ' 15' ' ' TYR . 12.3 tp -101.43 -31.87 10.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.47 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -80.11 -41.15 26.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -72.19 -24.39 61.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.75 -65.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.241 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.434 HD22 ' CD1' ' A' ' 13' ' ' ILE . 10.1 mt -71.5 -7.66 48.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.91 15.62 80.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' ALA . 15.5 mt -80.52 159.85 25.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.794 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.4 m -90.01 143.67 26.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -40.67 -54.25 2.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 42' ' ' ILE . 1.4 ttt180 -45.24 -58.95 2.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -49.19 -43.22 42.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.47 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -67.75 -26.21 66.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -82.41 -57.19 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -54.14 -45.57 72.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.443 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -81.45 5.54 17.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 41.5 91.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.403 ' CB ' HD11 ' A' ' 41' ' ' LEU . . . -103.27 124.17 48.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.4 ' NE2' HD23 ' A' ' 91' ' ' LEU . 11.5 pt20 -133.69 165.25 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.468 HG13 ' CD2' ' A' ' 66' ' ' LEU . 15.0 mm -100.3 129.92 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.6 mt -136.39 149.01 48.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -155.22 111.01 3.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.9 tp -78.88 118.87 21.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.495 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -55.52 -40.26 71.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 65.86 9.18 5.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -106.88 -37.86 6.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.94 9.15 6.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.92 52.72 50.57 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.548 1.155 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.407 ' CB ' HD12 ' A' ' 26' ' ' LEU . 46.3 m-20 -131.38 140.28 49.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.468 ' CD2' HG13 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -86.41 122.88 30.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.495 ' CD2' ' HB2' ' A' ' 60' ' ' GLU . 2.3 mm? -110.33 134.84 51.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.409 ' CD1' ' HB3' ' A' ' 25' ' ' SER . 4.3 mt -79.46 148.16 32.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -43.96 72.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -172.13 -176.53 1.67 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.1 ttpt -49.69 123.32 7.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.3 mt -114.27 134.5 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.1 152.58 42.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -113.44 111.28 21.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.588 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.531 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 6.3 p90 -144.62 173.87 11.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -150.66 149.26 29.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.474 HG22 ' CD2' ' A' ' 30' ' ' LEU . 49.2 t -99.24 112.43 31.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.466 HD11 ' CZ ' ' A' ' 98' ' ' PHE . 8.1 tp -90.5 136.12 33.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 75.9 mt -131.45 148.48 52.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 94' ' ' SER . 13.8 mttm -100.06 175.38 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.372 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 93' ' ' LYS . 59.6 p -32.45 109.6 0.31 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.96 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.423 ' C ' ' O ' ' A' ' 93' ' ' LYS . 18.2 Cg_endo -75.02 122.28 8.07 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.969 0.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.3 t -63.27 133.06 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -168.77 146.94 3.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.466 ' CZ ' HD11 ' A' ' 91' ' ' LEU . 7.0 m-85 -122.91 158.68 29.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.478 ' CG2' ' CG2' ' A' ' 12' ' ' THR . 4.2 mp -129.91 162.7 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.433 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 1.8 mt-30 -117.34 70.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.531 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -76.3 162.13 52.22 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' A' ' 11' ' ' ALA . 10.0 mm-40 -130.13 165.83 21.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 31.9 mt -133.07 117.21 28.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -107.37 144.18 34.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.478 ' CB ' ' CD ' ' A' ' 102' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.475 HG21 ' CG2' ' A' ' 99' ' ' ILE . 5.0 t -106.23 -32.42 8.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.449 HG13 ' CG2' ' A' ' 12' ' ' THR . 6.8 mt -129.48 147.31 33.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -136.25 116.61 13.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.436 ' CE2' ' HA3' ' A' ' 28' ' ' GLY . 2.7 m-85 -100.88 168.74 9.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.0 p -130.51 122.46 27.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.962 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.39 148.77 22.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 0.768 . . . . 0.0 110.043 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.47 HD13 ' CA ' ' A' ' 28' ' ' GLY . 1.5 tp -77.34 113.05 14.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.6 t -81.29 -39.65 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.47 ' CA ' HD13 ' A' ' 26' ' ' LEU . . . 164.88 157.07 9.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.4 ' O ' ' OD1' ' A' ' 33' ' ' ASP . 6.2 p30 -79.16 131.52 36.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.783 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.444 ' CD2' HG23 ' A' ' 90' ' ' VAL . 9.8 tp -98.71 -37.85 9.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.464 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -68.35 -55.81 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -38.52 84.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 29' ' ' ASN . 0.1 OUTLIER -46.55 -54.55 9.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.2 mt -90.5 22.96 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 48.32 26.0 4.63 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.3 mt -84.41 161.37 20.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 m -98.21 145.22 26.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.495 ' O ' ' CD1' ' A' ' 42' ' ' ILE . 2.3 mm? -46.84 -52.99 12.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.7 ttp-105 -47.21 -45.85 23.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -63.83 -51.2 65.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.464 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -59.64 -24.86 64.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -81.0 -50.58 16.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.8 p -54.81 -49.89 69.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.362 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 36.1 mtm-85 -77.7 1.59 19.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 41.09 62.81 1.67 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.434 ' O ' ' CD2' ' A' ' 59' ' ' LEU . . . -73.62 118.98 17.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.455 ' CG ' ' HB3' ' A' ' 91' ' ' LEU . 6.5 pt20 -124.99 159.8 30.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.325 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.473 HG13 ' CD2' ' A' ' 66' ' ' LEU . 42.8 mm -95.33 135.96 27.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.9 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.476 ' CD2' HD22 ' A' ' 68' ' ' LEU . 17.1 mt -107.37 154.54 21.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.03 105.0 2.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.434 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 11.8 tp -78.87 107.49 11.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.9 OUTLIER -40.92 -51.67 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.488 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 4.9 tt0 84.82 -10.07 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -93.74 -36.46 12.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.4 -10.47 14.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.408 ' N ' HD11 ' A' ' 38' ' ' LEU . . . 70.24 48.46 38.42 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -135.16 149.92 50.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.473 ' CD2' HG13 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -84.9 123.2 30.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 60' ' ' GLU . 1.4 mm? -113.54 134.55 54.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.476 HD22 ' CD2' ' A' ' 57' ' ' LEU . 8.6 mt -80.21 131.7 35.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.47 -61.22 2.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -146.24 -174.9 4.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -57.0 120.38 7.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 mm? . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 82.8 mt -133.29 134.2 57.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.45 150.29 43.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -109.17 110.7 21.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.581 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.568 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.5 p90 -143.94 166.92 23.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -144.68 158.98 43.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.444 HG23 ' CD2' ' A' ' 30' ' ' LEU . 98.1 t -105.97 105.52 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.455 ' HB3' ' CG ' ' A' ' 47' ' ' GLN . 6.8 tp -79.71 133.83 36.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 51.5 mt -124.55 146.85 48.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 94' ' ' SER . 10.5 mttm -99.65 173.87 6.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 93' ' ' LYS . 28.4 p -35.17 111.63 0.44 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.419 ' C ' ' O ' ' A' ' 93' ' ' LYS . 18.2 Cg_endo -75.07 122.45 8.22 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.004 -2.498 . . . . 0.0 111.007 0.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.415 ' N ' ' HA ' ' A' ' 94' ' ' SER . 24.2 t -56.6 134.86 20.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 98' ' ' PHE . 2.7 tm0? -163.44 158.22 20.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.436 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 97.2 m-85 -139.1 149.04 44.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.475 ' CG2' HG21 ' A' ' 12' ' ' THR . 3.5 mp -122.99 163.63 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.465 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 5.1 mt-30 -118.99 89.04 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.568 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -88.54 178.83 45.97 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.491 1.12 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.478 ' CD ' ' CB ' ' A' ' 11' ' ' ALA . 40.2 mp0 -146.21 148.69 32.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.744 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.487 HG13 ' CE2' ' A' ' 88' ' ' PHE . 10.7 mt -123.67 98.86 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -74.62 131.35 40.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.337 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.327 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.472 HG22 ' CG2' ' A' ' 99' ' ' ILE . 5.0 t -99.39 -32.87 10.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.429 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.43 ' CD1' HD21 ' A' ' 34' ' ' LEU . 16.3 mt -129.67 150.11 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -135.99 117.23 14.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.413 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.543 ' CE1' ' OD2' ' A' ' 33' ' ' ASP . 5.6 m-85 -100.91 166.54 10.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 p -132.0 117.25 18.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.996 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.43 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -115.4 136.84 52.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 27' ' ' VAL . 2.5 tp -83.24 113.07 20.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.487 ' CG2' ' HG ' ' A' ' 68' ' ' LEU . 42.5 t -82.13 -40.41 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.99 -169.14 39.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 4.6 m120 -107.49 140.45 40.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.414 ' CD2' HD12 ' A' ' 48' ' ' ILE . 12.1 tp -105.46 -61.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.482 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -54.88 -41.02 70.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.64 -44.86 61.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.543 ' OD2' ' CE1' ' A' ' 15' ' ' TYR . 1.1 m-20 -40.16 -70.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.43 HD21 ' CD1' ' A' ' 13' ' ' ILE . 9.1 mt -63.18 -25.42 68.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.42 18.54 38.42 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ALA . 79.8 mt -84.37 165.78 17.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 0.747 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 m -93.62 155.49 17.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.998 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -50.83 -59.51 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -42.74 -44.95 4.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -62.43 -47.81 82.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.482 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -63.74 -25.02 68.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -82.81 -53.39 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.2 p -56.01 -44.84 79.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.421 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -79.59 -0.68 34.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 43.2 71.37 0.42 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.76 116.46 25.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.434 ' OE1' ' CD2' ' A' ' 91' ' ' LEU . 12.9 pt20 -123.84 162.03 24.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.414 HD12 ' CD2' ' A' ' 30' ' ' LEU . 17.2 mm -94.4 135.59 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.8 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.453 HD22 ' CD2' ' A' ' 68' ' ' LEU . 15.8 mt -132.62 152.3 51.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.71 103.47 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.56 134.52 35.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -91.04 115.23 27.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -84.53 11.5 8.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.49 4.22 50.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.32 -45.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.82 67.84 0.61 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -143.73 152.92 41.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.465 HD13 ' CZ ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -98.77 104.78 16.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 67' ' ' LEU . 1.3 mm? -101.61 149.37 24.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.487 ' HG ' ' CG2' ' A' ' 27' ' ' VAL . 2.8 mt -86.45 147.23 26.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -53.47 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -166.57 -175.21 3.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -45.34 123.05 3.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mm? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 93.8 mt -115.98 134.56 58.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.98 152.55 42.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -111.34 110.6 21.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.595 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.476 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.4 p90 -144.0 170.71 15.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.6 mp0 -153.01 145.78 24.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.8 t -94.09 127.78 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.434 ' CD2' ' OE1' ' A' ' 47' ' ' GLN . 7.1 tp -98.68 134.74 41.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.8 mt -127.92 148.09 50.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 94' ' ' SER . 21.8 mttm -103.15 173.55 6.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.506 ' C ' ' O ' ' A' ' 93' ' ' LYS . 52.2 p -31.37 108.61 0.27 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.425 ' C ' ' O ' ' A' ' 93' ' ' LYS . 18.2 Cg_endo -75.03 122.63 8.35 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.008 -2.496 . . . . 0.0 111.007 0.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.6 t -64.37 134.39 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -168.8 145.88 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -117.37 158.6 24.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.472 ' CG2' HG22 ' A' ' 12' ' ' THR . 4.5 mp -129.23 156.4 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -116.63 72.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.476 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -73.81 -178.39 37.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -147.4 158.72 44.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.461 HG13 ' CE2' ' A' ' 88' ' ' PHE . 20.8 mt -130.71 108.73 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -91.68 133.0 35.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.464 ' CG2' HG13 ' A' ' 13' ' ' ILE . 6.7 t -103.07 -32.11 9.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.385 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.464 HG13 ' CG2' ' A' ' 12' ' ' THR . 12.0 mt -132.11 149.67 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.4 p -135.81 117.53 15.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.521 ' CZ ' HD11 ' A' ' 66' ' ' LEU . 5.6 m-85 -98.09 165.27 11.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 p -132.47 107.26 8.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.28 132.68 56.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 0.809 . . . . 0.0 109.983 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.428 HD11 ' N ' ' A' ' 27' ' ' VAL . 2.2 tp -75.65 113.92 13.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.474 HG13 ' CD2' ' A' ' 15' ' ' TYR . 41.6 t -80.67 -41.51 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.507 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 170.2 -173.69 44.22 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.408 ' O ' ' OH ' ' A' ' 15' ' ' TYR . 5.6 m-80 -102.0 144.44 30.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.753 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.462 HD21 ' CG2' ' A' ' 90' ' ' VAL . 11.9 tp -116.98 -55.51 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.476 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -66.2 -23.7 66.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -93.89 -23.62 18.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.49 -48.79 63.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.9 mt -86.76 11.76 12.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 55.25 22.84 31.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.0 mt -82.35 175.85 9.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.81 148.18 32.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.444 ' CD1' ' O ' ' A' ' 61' ' ' GLN . 1.4 mm? -45.93 -64.48 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -40.39 -45.56 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 110.274 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -61.98 -49.26 76.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -62.33 -23.86 67.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 109.284 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mp -84.75 -56.35 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.5 p -55.8 -38.18 69.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.344 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -82.84 3.42 29.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 41.29 75.72 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.474 ' O ' ' CD2' ' A' ' 59' ' ' LEU . . . -96.0 125.2 40.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -133.23 158.74 42.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.438 HG12 ' CB ' ' A' ' 59' ' ' LEU . 25.9 mm -93.19 136.88 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.468 HD11 ' CD2' ' A' ' 66' ' ' LEU . 15.5 mt -133.19 155.66 48.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.62 112.04 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 3.7 tp -78.83 111.06 14.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.4 OUTLIER -38.11 -56.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.493 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.8 OUTLIER 85.59 -46.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -8.67 57.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.24 -44.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.25 39.74 3.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.404 ' OD1' ' OD1' ' A' ' 29' ' ' ASN . 89.2 m-20 -126.33 155.77 41.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 0.726 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.521 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -93.3 104.8 16.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.487 ' CD2' ' HB2' ' A' ' 60' ' ' GLU . 2.0 mm? -100.69 154.56 18.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 mt -87.59 177.02 7.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.79 -40.04 6.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -167.07 -177.87 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -57.96 124.24 18.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 95.8 mt -96.69 135.69 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -73.32 152.99 40.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -112.87 114.33 26.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.603 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.503 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 5.7 p90 -147.06 169.2 19.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -152.05 143.68 23.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.462 ' CG2' HD21 ' A' ' 30' ' ' LEU . 38.1 t -91.82 108.04 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.485 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 7.2 tp -86.3 136.73 33.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.6 mt -127.92 147.59 50.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 94' ' ' SER . 9.4 mttt -97.72 174.71 6.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 93' ' ' LYS . 26.3 p -34.67 111.57 0.42 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.4 Cg_endo -74.97 123.18 8.82 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.008 -0.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.405 ' N ' ' HA ' ' A' ' 94' ' ' SER . 24.7 t -57.6 126.48 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.4 ' HG2' ' N ' ' A' ' 98' ' ' PHE . 52.7 tt0 -152.19 154.23 35.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.485 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 80.4 m-85 -136.86 158.08 45.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.463 ' CG2' HG21 ' A' ' 12' ' ' THR . 4.1 mp -134.11 163.42 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.458 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 5.9 mt-30 -124.99 85.25 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.503 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -87.8 -173.69 47.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -147.59 158.21 43.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.767 . . . . 0.0 110.283 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.443 ' HB ' ' CB ' ' A' ' 86' ' ' LEU . 13.6 mt -129.26 107.47 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -96.48 146.2 25.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.48 ' CG2' HG13 ' A' ' 13' ' ' ILE . 6.8 t -106.47 -32.09 8.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.421 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.48 HG13 ' CG2' ' A' ' 12' ' ' THR . 17.3 mt -125.49 149.45 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -136.54 117.38 14.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.442 ' CE2' ' HA3' ' A' ' 28' ' ' GLY . 4.5 m-85 -96.74 159.05 15.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 p -127.11 106.92 9.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.403 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -98.1 137.97 36.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 109.982 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.422 HD12 ' CA ' ' A' ' 28' ' ' GLY . 2.0 tp -81.16 114.75 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.401 ' N ' HD13 ' A' ' 26' ' ' LEU . 95.0 t -86.91 -37.55 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.442 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 159.79 170.99 25.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 0.9 OUTLIER -96.08 137.48 35.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.741 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.2 tp -93.56 -44.78 8.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.438 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -66.82 -40.82 88.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.31 -31.71 65.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -66.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.458 HD21 ' CD1' ' A' ' 13' ' ' ILE . 8.4 mt -69.86 -8.22 46.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.74 16.95 80.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' ALA . 15.2 mt -74.42 169.05 18.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' LEU . 8.3 t -99.36 139.67 34.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.97 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 63' ' ' SER . 2.9 mm? -40.15 -56.48 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.65 -48.37 5.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -60.7 -51.63 68.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.438 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -59.43 -25.56 64.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.351 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.444 ' CD1' ' O ' ' A' ' 38' ' ' LEU . 1.1 mp -80.49 -54.15 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 p -53.94 -54.3 40.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.402 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -76.25 -1.29 25.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 41.55 74.44 0.17 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.09 117.72 23.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -118.24 170.33 8.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.489 ' CG2' ' HB3' ' A' ' 57' ' ' LEU . 17.0 mm -101.5 134.68 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.4 mt . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.413 ' HA ' ' CB ' ' A' ' 69' ' ' LYS . 3.3 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.489 ' HB3' ' CG2' ' A' ' 48' ' ' ILE . 10.2 mt -140.74 138.99 34.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -141.64 104.59 4.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.433 ' CB ' HG12 ' A' ' 48' ' ' ILE . 20.5 tp -80.38 96.89 6.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -35.8 -49.32 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.24 3.83 4.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.461 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -86.3 -19.43 29.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.498 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -143.06 -46.25 0.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 110.001 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.05 60.17 0.14 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.499 1.125 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -143.26 139.92 30.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.462 ' CD2' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -88.1 125.08 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 1.6 mm? -114.53 132.52 56.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.403 ' CD1' ' HB3' ' A' ' 25' ' ' SER . 4.3 mt -73.66 142.33 46.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.413 ' CB ' ' HA ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -65.33 -49.51 69.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -151.39 -175.34 5.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -66.66 117.59 9.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.2 mt -109.77 131.25 61.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.466 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -71.68 142.05 49.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -106.55 113.97 27.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.631 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.55 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 6.8 p90 -143.69 173.37 11.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -153.64 143.8 22.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.402 ' HB ' ' HB ' ' A' ' 99' ' ' ILE . 76.8 t -89.15 126.21 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.8 tp -98.62 133.58 42.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 41.3 mt -123.14 144.36 49.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 94' ' ' SER . 7.7 mttt -98.01 174.34 6.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 93' ' ' LYS . 21.8 p -35.02 111.34 0.42 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.429 ' C ' ' O ' ' A' ' 93' ' ' LYS . 18.2 Cg_endo -75.01 122.65 8.36 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 121.041 -2.483 . . . . 0.0 110.974 0.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.405 ' N ' ' HA ' ' A' ' 94' ' ' SER . 23.3 t -55.61 127.27 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 98' ' ' PHE . 1.2 tm0? -150.82 161.62 42.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.435 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 84.1 m-85 -141.89 154.31 45.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.476 ' CG2' HG22 ' A' ' 12' ' ' THR . 3.9 mp -133.83 150.09 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.554 ' O ' ' CG ' ' A' ' 100' ' ' GLN . 3.1 pt20 -105.57 90.61 3.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.55 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -96.34 167.09 24.65 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 13' ' ' ILE . 60.9 mm-40 -136.31 160.94 37.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.474 ' CD1' HD13 ' A' ' 57' ' ' LEU . 25.6 mt -128.98 112.84 26.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -103.93 146.62 28.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.0 tp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.489 ' CG2' HG13 ' A' ' 13' ' ' ILE . 5.9 t -102.55 -32.13 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.402 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.489 HG13 ' CG2' ' A' ' 12' ' ' THR . 10.3 mt -129.24 150.05 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 p -136.13 117.91 15.09 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.501 1.125 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.57 ' CE2' HD12 ' A' ' 66' ' ' LEU . 3.9 m-85 -99.83 169.47 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.3 p -132.41 121.6 23.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.72 131.96 54.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 0.0 110.026 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.423 HD13 ' CA ' ' A' ' 28' ' ' GLY . 2.5 tp -76.33 111.98 12.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.405 ' CG2' ' HG ' ' A' ' 68' ' ' LEU . 62.8 t -81.27 -37.76 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.568 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 164.56 179.53 38.71 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.451 ' OD1' ' ND2' ' A' ' 65' ' ' ASN . 16.0 m-80 -103.15 140.06 37.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.473 HD22 ' CG2' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -111.15 -36.38 5.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.465 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -72.56 -37.78 68.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -78.6 -45.84 20.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -40.98 -69.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' A' ' 13' ' ' ILE . 7.4 mt -63.37 -22.17 66.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.12 14.57 60.33 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' ALA . 31.8 mt -80.52 143.05 33.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.47 149.1 42.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 63' ' ' SER . 1.4 mm? -42.98 -60.64 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -38.44 -57.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.098 . . . . 0.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -49.73 -55.55 13.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.465 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -54.72 -29.37 53.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.437 ' CD1' HD12 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -78.84 -60.62 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.3 p -53.78 -49.83 67.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.436 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.0 mtp85 -70.1 -7.44 41.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 46.11 96.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.455 ' O ' ' CD2' ' A' ' 59' ' ' LEU . . . -111.05 135.74 51.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.461 ' CG ' ' HB3' ' A' ' 91' ' ' LEU . 4.3 pt20 -138.72 165.71 26.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.47 HG13 ' CD2' ' A' ' 66' ' ' LEU . 12.8 mm -100.45 130.57 49.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.471 HD23 ' CD2' ' A' ' 68' ' ' LEU . 16.9 mt -134.31 159.29 41.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.1 tt0 -155.53 112.44 3.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.455 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 11.3 tp -81.59 108.49 15.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 2.6 mt-10 -38.64 -56.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.469 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER 84.33 -48.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.36 -15.95 63.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.498 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -120.86 -49.6 2.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.08 42.04 1.58 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.435 1.085 . . . . 0.0 111.027 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.451 ' ND2' ' OD1' ' A' ' 29' ' ' ASN . 20.7 m120 -131.01 150.93 51.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.57 HD12 ' CE2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -90.76 104.67 17.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 58' ' ' GLN . 1.7 mm? -103.28 134.62 46.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.471 ' CD2' HD23 ' A' ' 57' ' ' LEU . 3.7 mt -65.48 -175.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.07 -51.88 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -146.43 -173.44 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -72.24 119.16 16.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.429 ' N ' HD12 ' A' ' 72' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 97.1 mt -128.71 128.64 67.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.0 tt -71.81 138.8 48.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -97.84 117.0 31.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.573 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.578 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.3 p90 -147.52 168.94 20.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -150.99 149.27 29.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.473 ' CG2' HD22 ' A' ' 30' ' ' LEU . 47.2 t -92.41 113.01 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.461 ' HB3' ' CG ' ' A' ' 47' ' ' GLN . 7.4 tp -88.06 134.21 33.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.5 mt -123.8 148.39 46.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 94' ' ' SER . 0.0 OUTLIER -98.11 174.52 6.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 93' ' ' LYS . 14.0 p -35.22 111.85 0.44 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.416 ' C ' ' O ' ' A' ' 93' ' ' LYS . 18.3 Cg_endo -74.99 122.15 7.96 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.984 -0.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.423 ' N ' ' HA ' ' A' ' 94' ' ' SER . 40.8 t -56.27 128.42 16.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 98' ' ' PHE . 6.6 tm0? -151.35 162.38 41.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.433 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 86.4 m-85 -142.68 151.72 41.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.484 ' CG2' HG22 ' A' ' 12' ' ' THR . 4.4 mp -131.24 156.5 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.57 ' O ' ' CG ' ' A' ' 100' ' ' GLN . 3.4 pt20 -110.83 93.49 4.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.578 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -93.85 179.23 38.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -149.77 157.79 43.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.2 mt -128.78 105.67 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -85.49 142.92 28.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.487 HG23 ' CG2' ' A' ' 99' ' ' ILE . 5.1 t -95.82 -32.67 12.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.477 ' CG2' ' OD2' ' A' ' 33' ' ' ASP . 7.8 mt -133.79 149.45 30.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -134.2 116.67 15.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.472 ' CZ ' HD13 ' A' ' 66' ' ' LEU . 3.7 m-85 -95.13 160.4 14.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 p -132.11 105.24 7.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.22 141.8 40.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.993 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.428 HD11 ' CA ' ' A' ' 28' ' ' GLY . 3.1 tp -82.64 111.59 18.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.429 ' CG2' ' HG ' ' A' ' 68' ' ' LEU . 57.7 t -78.93 -39.06 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.428 ' CA ' HD11 ' A' ' 26' ' ' LEU . . . 164.32 177.2 36.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -91.97 141.19 28.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.79 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.467 ' CD2' HG21 ' A' ' 90' ' ' VAL . 6.1 tp -108.04 -54.53 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.472 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -61.78 -44.02 97.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -73.34 -24.5 60.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.477 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -61.12 -52.85 63.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.1 mt -83.72 5.52 24.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.68 15.33 68.6 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.433 1.083 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' ALA . 77.3 mt -82.78 172.87 12.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.1 m -110.16 154.22 23.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -47.21 -64.46 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.1 ttp-105 -38.47 -52.72 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -56.6 -51.82 67.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.472 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -60.51 -26.0 66.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mp -79.77 -52.59 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 p -54.9 -43.03 72.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.158 . . . . 0.0 110.405 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -85.35 9.63 14.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 40.15 90.59 0.01 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.476 ' O ' ' CD2' ' A' ' 59' ' ' LEU . . . -101.11 128.65 47.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.33 159.93 41.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.442 ' CG2' ' HB3' ' A' ' 57' ' ' LEU . 7.6 mm -92.83 132.16 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.442 ' HB3' ' CG2' ' A' ' 48' ' ' ILE . 13.0 mt -137.36 149.18 46.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.6 119.37 4.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.476 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 10.3 tp -84.13 121.99 28.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 1.4 mm-40 -50.78 -55.44 16.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 4.2 tt0 89.34 -27.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.335 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.467 ' CG ' ' OE2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -96.21 -13.11 23.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.12 -40.45 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.042 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.37 41.78 5.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.555 1.16 . . . . 0.0 110.976 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -129.92 162.0 29.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.472 HD13 ' CZ ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -95.82 107.68 19.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -102.35 150.78 22.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.429 ' HG ' ' CG2' ' A' ' 27' ' ' VAL . 4.3 mt -89.15 164.46 15.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -47.42 8.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -159.22 -174.47 4.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.34 122.01 12.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.4 mt -114.5 135.09 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.468 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -73.58 153.32 40.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.404 ' CD2' ' N ' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -112.43 117.16 31.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.614 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -151.0 173.71 13.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -154.79 167.01 31.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.467 HG21 ' CD2' ' A' ' 30' ' ' LEU . 24.6 t -118.19 112.94 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.558 ' CD1' ' CZ ' ' A' ' 98' ' ' PHE . 5.2 tp -93.74 135.99 34.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 89.8 mt -124.43 149.44 46.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 94' ' ' SER . 5.2 mttm -98.07 174.63 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.454 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 24.7 p -35.47 111.77 0.46 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.5 Cg_endo -75.0 122.25 8.05 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.943 -2.524 . . . . 0.0 111.02 0.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.417 ' N ' ' HA ' ' A' ' 94' ' ' SER . 19.1 t -55.58 137.5 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.57 160.01 33.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.558 ' CZ ' ' CD1' ' A' ' 91' ' ' LEU . 35.9 m-85 -142.44 155.28 45.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.487 ' CG2' HG23 ' A' ' 12' ' ' THR . 4.9 mp -136.47 166.13 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.456 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 5.4 mt-30 -136.54 92.58 2.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.08 -169.16 36.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -146.4 156.62 43.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.468 ' HB ' ' CB ' ' A' ' 86' ' ' LEU . 30.3 mt -123.68 106.25 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -90.98 132.63 35.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.469 HG21 ' CG2' ' A' ' 99' ' ' ILE . 5.8 t -102.95 -32.54 9.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.444 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.464 HG13 ' CG2' ' A' ' 12' ' ' THR . 11.2 mt -130.91 152.41 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p -134.76 116.79 15.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.425 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.578 ' CD2' HG12 ' A' ' 27' ' ' VAL . 5.1 m-85 -99.41 157.94 16.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.0 p -132.44 106.6 7.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.0 136.38 54.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.775 . . . . 0.0 109.978 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.426 HD11 ' CA ' ' A' ' 28' ' ' GLY . 3.3 tp -84.9 112.69 20.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.578 HG12 ' CD2' ' A' ' 15' ' ' TYR . 75.0 t -76.98 -40.53 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.426 ' CA ' HD11 ' A' ' 26' ' ' LEU . . . 164.77 -161.34 34.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.405 ' C ' ' OH ' ' A' ' 15' ' ' TYR . 8.0 m120 -107.93 142.77 37.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.1 tp -109.3 -53.27 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.465 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -77.05 -41.85 40.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -18.43 64.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.82 -73.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.431 HD21 ' CD1' ' A' ' 13' ' ' ILE . 3.9 mm? -62.29 -16.36 53.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.52 15.93 48.26 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 31' ' ' ALA . 24.1 mt -83.74 156.85 22.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.8 157.68 16.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.971 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 42' ' ' ILE . 3.0 mm? -49.34 -61.28 2.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -38.66 -57.86 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.21 -48.05 65.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.465 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -66.27 -24.32 66.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -80.05 -53.86 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.5 p -48.66 -46.13 39.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.411 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.0 mtm180 -85.9 12.51 9.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.87 88.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.4 ' CB ' HD11 ' A' ' 41' ' ' LEU . . . -94.98 124.73 39.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -138.28 159.36 42.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 10.5 mm -92.36 131.22 40.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.565 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.421 ' HA ' ' CB ' ' A' ' 69' ' ' LYS . 1.3 mp . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.466 HD11 ' CD2' ' A' ' 66' ' ' LEU . 16.0 mt -138.64 151.58 47.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.6 tt0 -155.24 116.7 4.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' GLU . 14.4 tp -88.21 101.53 13.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -38.29 -56.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 2.3 tt0 86.33 -13.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.05 -30.38 15.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.65 -28.0 7.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.048 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.01 43.39 6.36 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -127.24 152.48 47.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.776 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.515 HD12 ' CZ ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -90.74 106.99 18.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 58' ' ' GLN . 2.3 mm? -103.63 151.43 22.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.463 ' HG ' ' CG2' ' A' ' 27' ' ' VAL . 2.2 mt -88.18 162.97 16.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.421 ' CB ' ' HA ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -78.67 -48.31 15.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -173.51 -174.83 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -42.69 119.07 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mm? . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 88.9 mt -113.41 122.91 68.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.405 HD22 ' N ' ' A' ' 87' ' ' HIS . 3.0 tt -72.4 128.78 36.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.405 ' N ' HD22 ' A' ' 86' ' ' LEU . 6.6 p-80 -90.35 118.74 30.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.62 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.429 ' CD1' HG13 ' A' ' 103' ' ' ILE . 6.3 p90 -144.58 175.91 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.444 ' CG ' ' O ' ' A' ' 99' ' ' ILE . 2.7 mp0 -153.4 166.48 32.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.277 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.6 t -119.16 114.8 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.568 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 4.5 tp -90.35 135.35 33.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.4 mt -126.42 152.18 46.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 94' ' ' SER . 9.6 mttt -101.12 174.8 5.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 93' ' ' LYS . 0.8 OUTLIER -31.9 109.09 0.29 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.476 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.1 Cg_endo -75.05 122.8 8.49 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.973 -2.511 . . . . 0.0 110.983 0.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.5 t -64.0 134.7 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.244 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.418 ' HG2' ' N ' ' A' ' 98' ' ' PHE . 40.3 tt0 -169.95 156.78 6.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 7.7 m-85 -127.18 158.69 36.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.469 ' CG2' HG21 ' A' ' 12' ' ' THR . 4.5 mp -128.36 162.46 34.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.428 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 6.3 mt-30 -128.25 88.64 2.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -94.88 -176.73 38.13 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -136.03 165.67 25.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 0.803 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.429 HG13 ' CD1' ' A' ' 88' ' ' PHE . 8.1 mt -137.45 103.71 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -98.27 152.88 18.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.245 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.447 ' CB ' ' HG3' ' A' ' 102' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.505 HG22 ' CG2' ' A' ' 99' ' ' ILE . 4.8 t -99.75 -32.68 10.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.37 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.467 HG13 ' CG2' ' A' ' 12' ' ' THR . 7.3 mt -128.42 147.26 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p -136.22 117.47 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.414 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.582 ' CE2' ' CD1' ' A' ' 66' ' ' LEU . 3.1 m-85 -98.7 170.61 8.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.6 p -131.14 117.72 19.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.049 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.934 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.05 136.67 51.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 0.754 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.469 HD11 ' CA ' ' A' ' 28' ' ' GLY . 1.3 tp -66.39 112.39 4.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.483 ' CG2' HD22 ' A' ' 68' ' ' LEU . 50.4 t -77.88 -42.46 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.56 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 172.5 173.17 38.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 7.3 m-80 -92.29 136.5 33.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.9 tp -108.9 -38.57 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.465 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -78.02 -28.31 49.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.19 -15.81 27.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -72.91 -52.22 15.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.8 mt -83.6 6.41 20.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.31 16.5 64.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.8 mt -78.05 170.7 16.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.9 t -107.86 154.32 21.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 61' ' ' GLN . 1.9 mm? -49.45 -62.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 -42.58 -46.27 4.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.7 -46.75 89.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.465 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -66.55 -24.56 66.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.458 ' CD1' HD11 ' A' ' 38' ' ' LEU . 1.1 mp -81.38 -46.45 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 p -61.56 -44.15 97.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 -83.8 -0.09 49.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 39.77 79.87 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.547 1.154 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.455 ' O ' ' CD2' ' A' ' 59' ' ' LEU . . . -89.41 124.58 34.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 0.753 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.404 ' CD ' ' CD2' ' A' ' 91' ' ' LEU . 13.8 pt20 -127.6 154.11 45.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.487 ' CG2' ' HB3' ' A' ' 57' ' ' LEU . 48.9 mm -90.63 138.39 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.487 ' HB3' ' CG2' ' A' ' 48' ' ' ILE . 14.9 mt -149.52 145.0 26.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.457 ' NE2' ' HZ3' ' A' ' 69' ' ' LYS . 2.2 tt0 -154.94 119.64 4.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.455 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 6.2 tp -86.15 113.37 22.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -40.6 -50.65 3.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 3.8 tt0 85.3 -46.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.77 -6.9 54.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.27 -45.34 1.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.42 50.82 1.8 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -146.96 153.62 40.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.582 ' CD1' ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -86.4 118.75 26.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.444 ' CD2' ' HB2' ' A' ' 60' ' ' GLU . 1.8 mm? -109.89 134.22 52.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.483 HD22 ' CG2' ' A' ' 27' ' ' VAL . 53.0 mt -74.89 151.8 38.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.457 ' HZ3' ' NE2' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -94.46 -33.14 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -165.1 -174.18 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -71.78 120.1 16.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.401 ' CD2' HD11 ' A' ' 68' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.5 mt -113.24 136.58 49.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.475 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -71.92 152.36 42.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -109.98 109.86 20.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.629 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.5 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.5 p90 -146.07 170.56 16.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -154.94 143.33 20.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.403 ' HB ' ' HB ' ' A' ' 99' ' ' ILE . 94.5 t -88.55 116.57 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.404 ' CD2' ' CD ' ' A' ' 47' ' ' GLN . 5.4 tp -95.55 136.84 35.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 39.9 mt -125.88 146.36 49.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 94' ' ' SER . 13.7 mttt -99.37 173.25 6.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.476 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 22.8 p -34.15 110.94 0.39 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.476 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.3 Cg_endo -75.03 122.9 8.57 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.988 0.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.406 ' N ' ' HA ' ' A' ' 94' ' ' SER . 24.0 t -56.58 135.48 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 98' ' ' PHE . 4.0 tm0? -161.29 153.0 19.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.438 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 48.9 m-85 -136.64 150.82 48.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.505 ' CG2' HG22 ' A' ' 12' ' ' THR . 3.8 mp -128.26 162.9 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.566 ' O ' ' CG ' ' A' ' 100' ' ' GLN . 4.8 pt20 -118.82 94.57 4.5 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.5 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -100.07 176.06 27.83 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.447 ' HG3' ' CB ' ' A' ' 11' ' ' ALA . 20.6 mt-10 -142.81 155.46 44.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.773 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.475 ' HB ' ' CB ' ' A' ' 86' ' ' LEU . 19.7 mt -123.87 102.07 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -78.44 148.73 33.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.475 ' CG2' ' CG2' ' A' ' 99' ' ' ILE . 6.0 t -105.48 -32.18 8.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.474 ' CD1' HD21 ' A' ' 34' ' ' LEU . 18.0 mt -126.82 149.22 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -136.64 117.16 13.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.535 ' CE1' ' OD2' ' A' ' 33' ' ' ASP . 3.7 m-85 -100.89 159.1 15.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.3 p -128.14 114.86 17.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.0 p . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.442 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -116.12 137.33 52.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.954 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.449 HD12 ' CA ' ' A' ' 28' ' ' GLY . 2.1 tp -83.04 113.09 20.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.469 ' CG2' ' HG ' ' A' ' 68' ' ' LEU . 85.7 t -83.36 -37.27 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.449 ' CA ' HD12 ' A' ' 26' ' ' LEU . . . 156.48 166.18 15.86 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.43 ' OD1' ' N ' ' A' ' 33' ' ' ASP . 12.7 p30 -90.16 146.04 24.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.475 ' CD2' HG22 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -111.0 -49.88 2.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.479 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -60.38 -22.52 63.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.5 -35.6 12.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.535 ' OD2' ' CE1' ' A' ' 15' ' ' TYR . 12.3 m-20 -56.39 -58.99 5.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.474 HD21 ' CD1' ' A' ' 13' ' ' ILE . 11.0 mt -69.91 -10.02 57.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.35 20.21 77.33 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.6 mt -83.72 178.76 7.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.1 m -114.53 148.29 38.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.34 -64.13 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -42.25 -50.01 4.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -48.09 78.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.479 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -63.02 -23.7 67.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.07 -47.2 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 47.3 p -54.7 -50.37 68.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -85.96 6.9 26.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 110.307 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.13 83.49 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.451 ' CB ' HD11 ' A' ' 41' ' ' LEU . . . -96.02 119.21 34.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 0.737 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -122.93 167.76 13.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.446 HG12 ' CB ' ' A' ' 59' ' ' LEU . 21.2 mm -98.33 133.48 40.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.438 ' HB3' ' CG2' ' A' ' 48' ' ' ILE . 8.4 mt -139.61 149.76 44.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -155.49 115.39 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.446 ' CB ' HG12 ' A' ' 48' ' ' ILE . 1.4 tp -79.06 144.29 34.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.499 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 1.6 mt-10 -98.06 103.66 15.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -76.7 1.0 18.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.95 0.84 39.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.3 -55.47 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.989 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . 111.87 54.31 0.5 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -139.83 157.05 46.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.53 HD11 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -92.7 113.19 25.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.499 ' CD2' ' HB2' ' A' ' 60' ' ' GLU . 2.5 mm? -107.5 139.26 42.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.469 ' HG ' ' CG2' ' A' ' 27' ' ' VAL . 3.6 mt -79.72 163.98 24.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.04 -53.06 4.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -153.96 -177.81 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -55.63 124.96 19.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.6 mt -122.22 131.49 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.402 1.064 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.477 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -72.03 134.49 45.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -97.97 115.45 28.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.62 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.513 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.6 p90 -150.65 171.79 16.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -154.89 148.49 25.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.475 HG22 ' CD2' ' A' ' 30' ' ' LEU . 87.0 t -91.55 121.9 42.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.5 tp -97.1 136.29 37.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.0 mt -125.19 146.88 49.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 94' ' ' SER . 8.1 mttm -98.53 174.83 6.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 93' ' ' LYS . 21.8 p -34.66 111.09 0.41 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.428 ' C ' ' O ' ' A' ' 93' ' ' LYS . 18.4 Cg_endo -75.03 122.36 8.13 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.981 0.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.406 ' N ' ' HA ' ' A' ' 94' ' ' SER . 35.8 t -56.06 139.02 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 98' ' ' PHE . 9.2 tm0? -165.64 157.63 14.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.454 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 96.4 m-85 -138.17 147.98 44.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.475 ' CG2' ' CG2' ' A' ' 12' ' ' THR . 4.2 mp -125.52 160.21 32.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.416 ' N ' HG23 ' A' ' 99' ' ' ILE . 3.0 mt-30 -116.26 100.32 7.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.513 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -101.3 178.12 27.7 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -145.11 161.44 39.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.736 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.477 ' HB ' ' CB ' ' A' ' 86' ' ' LEU . 9.2 mt -133.33 106.0 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -94.64 151.83 18.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tp . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.405 ' HB3' ' CG ' ' A' ' 102' ' ' GLU . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.469 ' CG2' HG13 ' A' ' 13' ' ' ILE . 8.0 t -104.8 -32.21 8.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.472 ' CD1' HD22 ' A' ' 34' ' ' LEU . 19.6 mt -128.07 150.92 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -136.43 117.65 14.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.382 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.573 ' CE2' HD12 ' A' ' 66' ' ' LEU . 3.1 m-85 -101.95 169.05 9.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.967 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.6 p -130.02 105.25 7.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.955 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.465 ' CG1' HG23 ' A' ' 103' ' ' ILE . 12.3 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.95 139.29 50.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 0.793 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.451 HD13 ' N ' ' A' ' 28' ' ' GLY . 7.7 tp -68.66 109.29 3.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.9 t -74.14 -50.76 26.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.533 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . -179.93 168.39 38.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -87.34 141.31 28.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.328 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.453 ' CD2' HG21 ' A' ' 90' ' ' VAL . 7.7 tp -116.93 -64.5 1.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.472 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -60.14 -27.81 67.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -89.45 -24.06 21.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -64.44 -68.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.472 HD22 ' CD1' ' A' ' 13' ' ' ILE . 4.4 mm? -62.78 -14.33 43.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.73 20.51 53.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ALA . 77.6 mt -79.25 168.98 18.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.16 142.93 34.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.475 ' O ' ' CD1' ' A' ' 42' ' ' ILE . 2.7 mm? -43.35 -52.89 5.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -49.35 -51.46 34.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.343 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.08 -45.79 79.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.472 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -66.39 -27.32 67.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.475 ' CD1' ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -78.81 -50.47 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.6 p -52.44 -48.4 65.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.405 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 45' ' ' GLY . 79.7 mtm-85 -85.48 9.68 15.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' ARG . . . 35.91 85.36 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.132 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.473 ' O ' ' CD2' ' A' ' 59' ' ' LEU . . . -95.24 127.36 41.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -133.57 154.56 50.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.469 HG13 ' CD2' ' A' ' 66' ' ' LEU . 23.9 mm -91.1 131.03 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.461 ' CD2' HD23 ' A' ' 68' ' ' LEU . 18.0 mt -107.88 154.01 22.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -155.1 111.16 3.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 1.9 tp -82.14 129.19 34.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.6 OUTLIER -58.94 -50.75 72.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 1.6 mt-30 86.44 -15.95 0.44 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.39 -13.94 15.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.18 -35.65 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.73 38.62 7.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.127 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.442 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 20.4 m120 -133.09 160.98 35.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.573 HD12 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -94.79 116.79 29.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 58' ' ' GLN . 1.6 mm? -107.89 144.89 34.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.461 HD23 ' CD2' ' A' ' 57' ' ' LEU . 20.8 mt -83.45 150.68 25.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -87.21 -42.12 13.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -162.29 -175.07 4.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -63.45 116.1 5.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 72' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.4 mt -92.0 133.92 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.472 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -72.0 151.97 42.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -114.03 111.64 21.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.591 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.571 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.5 p90 -145.62 172.55 13.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -152.75 158.72 42.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.453 HG21 ' CD2' ' A' ' 30' ' ' LEU . 15.0 t -106.51 107.13 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.2 tp -78.02 136.31 37.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.5 mt -127.1 149.77 49.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.496 ' O ' ' C ' ' A' ' 94' ' ' SER . 21.9 mttm -103.05 173.76 6.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 93' ' ' LYS . 52.6 p -31.93 109.35 0.29 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.4 Cg_endo -74.97 123.5 9.14 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.051 -2.479 . . . . 0.0 110.995 -0.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.1 t -62.46 134.6 27.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -170.9 154.44 4.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -125.66 158.42 34.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.457 HG22 ' CG2' ' A' ' 12' ' ' THR . 4.1 mp -125.27 156.75 34.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.415 ' N ' HG21 ' A' ' 99' ' ' ILE . 6.1 mt-30 -110.86 89.18 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.335 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.571 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -93.8 163.63 25.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.405 ' CG ' ' HB3' ' A' ' 11' ' ' ALA . 29.7 mm-40 -135.21 156.92 48.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 0.778 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.472 ' HB ' ' CB ' ' A' ' 86' ' ' LEU . 14.1 mt -129.01 102.5 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -77.97 139.99 39.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.285 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 tp . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.468 ' CB ' ' HG3' ' A' ' 102' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.466 HG23 ' CG2' ' A' ' 99' ' ' ILE . 6.9 t -107.36 -32.45 7.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.442 HD12 ' CD2' ' A' ' 34' ' ' LEU . 18.6 mt -129.51 151.55 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -136.1 119.66 17.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.389 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.437 ' CE2' ' CD1' ' A' ' 66' ' ' LEU . 4.2 m-85 -103.64 159.87 15.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 p -126.36 111.05 14.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.993 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.443 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -120.3 136.01 54.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 110.01 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.431 HD11 ' CA ' ' A' ' 28' ' ' GLY . 1.9 tp -80.03 114.59 19.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.465 ' CG2' ' HG ' ' A' ' 68' ' ' LEU . 94.1 t -86.91 -36.92 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.431 ' CA ' HD11 ' A' ' 26' ' ' LEU . . . 158.78 166.52 18.0 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 10.3 p30 -91.34 143.93 26.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.415 ' CD1' ' OH ' ' A' ' 15' ' ' TYR . 8.4 tp -108.44 -23.77 11.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.473 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -83.67 -31.89 25.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -35.96 20.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.422 ' OD2' ' CE1' ' A' ' 15' ' ' TYR . 4.6 m-20 -50.93 -67.42 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.442 ' CD2' HD12 ' A' ' 13' ' ' ILE . 7.8 mt -62.75 -15.25 52.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.45 19.26 58.87 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ALA . 93.5 mt -86.03 178.34 7.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.777 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.96 158.95 21.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.947 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 63' ' ' SER . 1.4 mm? -47.0 -62.5 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -42.33 -53.71 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.7 -47.79 73.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.473 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -66.1 -24.28 66.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.435 ' CD1' HD12 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -79.95 -46.93 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.1 p -56.2 -51.26 68.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.376 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 mtm-85 -79.0 -4.22 48.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.241 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.45 81.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.495 ' O ' ' CD2' ' A' ' 59' ' ' LEU . . . -95.2 125.21 39.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.258 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -142.78 158.74 43.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.501 ' CG2' ' HB3' ' A' ' 57' ' ' LEU . 12.8 mm -91.94 125.83 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.343 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.49 ' CD1' ' N ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.501 ' HB3' ' CG2' ' A' ' 48' ' ' ILE . 11.3 mt -143.93 147.64 34.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -155.32 117.48 4.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -86.94 143.6 27.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.476 ' CA ' ' OE1' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -97.62 103.61 15.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.05 -7.19 33.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.11 -10.24 33.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.488 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -133.12 -65.45 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . 119.27 36.31 0.87 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -125.27 153.48 43.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.437 ' CD1' ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -88.46 117.1 27.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' GLN . 2.1 mm? -108.29 135.78 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 27' ' ' VAL . 3.3 mt -81.61 151.34 27.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.27 -38.73 50.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -171.91 -175.05 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -52.68 135.54 34.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 72' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.2 mt -120.02 123.36 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.477 ' CD2' ' C ' ' A' ' 86' ' ' LEU . 0.4 OUTLIER -84.48 114.52 21.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -100.18 124.23 45.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.627 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.559 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 23.2 p90 -117.72 179.69 3.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -136.85 116.03 12.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.408 ' HB ' ' HB ' ' A' ' 99' ' ' ILE . 84.9 t -82.4 120.82 34.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.2 tp -91.71 133.7 35.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.257 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 31.2 mt -125.97 145.36 50.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.466 ' O ' ' C ' ' A' ' 94' ' ' SER . 10.7 mttp -98.78 175.08 6.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 24.7 p -34.17 111.09 0.39 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.489 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.4 Cg_endo -75.02 122.42 8.18 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.998 0.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.411 ' N ' ' HA ' ' A' ' 94' ' ' SER . 24.9 t -59.76 133.4 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.463 ' CG ' ' N ' ' A' ' 98' ' ' PHE . 48.0 tt0 -167.31 163.68 15.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.463 ' N ' ' CG ' ' A' ' 97' ' ' GLN . 15.4 m-85 -134.99 157.19 47.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.466 ' CG2' HG23 ' A' ' 12' ' ' THR . 3.5 mp -127.45 164.82 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.461 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 2.4 mt-30 -126.73 81.82 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.559 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -84.15 176.06 51.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.468 ' HG3' ' CB ' ' A' ' 11' ' ' ALA . 11.6 mt-10 -134.25 174.44 10.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.8 mt -145.63 107.25 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -91.86 134.69 34.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.408 ' CB ' ' HG2' ' A' ' 102' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.509 HG21 ' CG2' ' A' ' 99' ' ' ILE . 3.4 t -90.41 -34.02 15.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 mt -139.51 143.24 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.423 ' HB ' ' NE2' ' A' ' 104' ' ' GLN . 0.8 OUTLIER -136.97 118.95 15.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.345 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.563 ' CE2' ' HA3' ' A' ' 28' ' ' GLY . 4.7 m-85 -95.41 167.38 11.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 p -123.76 103.94 8.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 0.0 110.013 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.46 HG12 ' CG2' ' A' ' 103' ' ' ILE . 11.7 p . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.437 ' CB ' HD13 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -109.03 144.85 36.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.017 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.466 HD12 ' CA ' ' A' ' 28' ' ' GLY . 1.3 tp -75.47 113.33 12.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.425 ' N ' HD13 ' A' ' 26' ' ' LEU . 45.1 t -82.19 -38.91 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.563 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 167.83 -173.54 42.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.403 ' C ' ' OH ' ' A' ' 15' ' ' TYR . 5.5 p30 -103.6 137.2 41.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.78 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.47 ' CD2' HG21 ' A' ' 90' ' ' VAL . 8.3 tp -104.29 -41.53 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.479 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -75.66 -46.63 30.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -15.29 62.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.55 -52.34 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.7 mt -87.85 13.28 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.29 23.92 60.61 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' ALA . 93.7 mt -85.36 173.1 10.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.34 146.92 36.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.414 ' O ' ' CD1' ' A' ' 42' ' ' ILE . 1.3 mm? -45.97 -58.59 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -41.59 -49.16 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -53.1 60.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.479 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -58.04 -26.02 61.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 1.178 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.461 ' CD1' ' O ' ' A' ' 61' ' ' GLN . 0.9 OUTLIER -76.81 -54.83 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.2 p -58.08 -50.06 74.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.402 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -68.42 -11.07 59.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 50.66 83.83 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.453 1.095 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.442 ' O ' ' CD2' ' A' ' 59' ' ' LEU . . . -96.56 124.72 40.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -130.46 156.93 43.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.0 mm -94.82 131.11 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.0 mt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.44 ' CD2' HD12 ' A' ' 72' ' ' LEU . 5.2 mp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.481 HD13 ' CD2' ' A' ' 66' ' ' LEU . 25.8 mt -115.8 151.06 35.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -155.32 112.1 3.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.442 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 3.2 tp -87.52 119.43 27.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 2.2 mm-40 -49.89 -48.79 51.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.494 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 2.1 tt0 86.01 -11.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.255 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -104.6 -33.17 8.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.351 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -98.01 -28.19 13.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.94 53.3 4.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -147.02 169.43 19.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.529 HD12 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -99.97 121.09 40.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' GLN . 1.5 mm? -114.99 129.76 56.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.462 HD23 ' CD2' ' A' ' 57' ' ' LEU . 7.8 mt -72.03 135.97 46.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.565 1.165 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -65.88 -60.39 2.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -140.0 -175.09 4.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.8 ttpp -65.92 111.56 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.44 HD12 ' CD2' ' A' ' 56' ' ' LEU . 1.1 mm? . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.506 ' O ' ' CE1' ' A' ' 87' ' ' HIS . 36.2 mt -87.35 138.44 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.415 ' N ' HG23 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -77.4 153.79 33.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.506 ' CE1' ' O ' ' A' ' 85' ' ' ILE . 0.8 OUTLIER -115.39 111.8 21.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.649 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.583 ' CE1' ' O ' ' A' ' 101' ' ' GLY . 18.7 p90 -140.73 174.55 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -154.24 137.42 15.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.47 HG21 ' CD2' ' A' ' 30' ' ' LEU . 40.5 t -90.08 109.33 20.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.417 HD12 ' CZ ' ' A' ' 98' ' ' PHE . 5.5 tp -86.49 137.73 32.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.8 mt -131.19 150.58 52.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.48 ' O ' ' C ' ' A' ' 94' ' ' SER . 17.5 mttt -100.23 176.52 5.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 93' ' ' LYS . 42.2 p -33.02 109.92 0.33 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.0 122.43 8.19 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.989 -2.505 . . . . 0.0 111.022 0.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.5 t -62.14 128.85 24.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -163.04 158.23 21.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.417 ' CZ ' HD12 ' A' ' 91' ' ' LEU . 48.2 m-85 -133.31 157.93 44.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.509 ' CG2' HG21 ' A' ' 12' ' ' THR . 3.8 mp -125.11 164.77 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.484 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 9.2 mt-30 -124.54 79.44 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.583 ' O ' ' CE1' ' A' ' 88' ' ' PHE . . . -99.38 145.47 17.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 85' ' ' ILE . 43.8 mm-40 -109.82 170.26 8.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.46 ' CG2' HG12 ' A' ' 17' ' ' VAL . 9.9 mt -129.02 111.51 23.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 15' ' ' TYR . 78.7 mt-30 -73.59 134.91 43.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.469 HG21 ' CG2' ' A' ' 99' ' ' ILE . 6.0 t -103.03 -29.2 11.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.371 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.452 HG13 ' CG2' ' A' ' 12' ' ' THR . 10.3 mt -134.97 150.75 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -135.99 117.91 15.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.393 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.527 ' CZ ' HD11 ' A' ' 66' ' ' LEU . 6.3 m-85 -98.77 168.35 10.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.1 p -131.94 118.69 20.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.463 HG12 ' CG2' ' A' ' 103' ' ' ILE . 9.0 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.96 133.28 34.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.43 HD11 ' N ' ' A' ' 28' ' ' GLY . 3.2 tp -69.11 111.6 5.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.46 HG11 ' CD2' ' A' ' 15' ' ' TYR . 47.1 t -83.11 -36.81 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.43 ' N ' HD11 ' A' ' 26' ' ' LEU . . . 160.4 -175.49 37.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 1.3 m-80 -98.93 141.78 31.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.458 ' CD2' HD12 ' A' ' 48' ' ' ILE . 12.9 tp -107.57 -56.5 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.476 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -59.95 -48.02 83.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -67.38 -35.27 78.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.414 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -49.92 -51.53 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 mt -90.13 20.08 4.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.37 26.55 9.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' ALA . 88.3 mt -86.03 177.63 7.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 t -112.16 144.86 40.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -42.37 -63.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -41.13 -55.26 2.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -51.26 -46.21 62.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -65.91 -22.54 66.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -85.17 -51.47 13.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.3 p -50.59 -48.44 57.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.38 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 45' ' ' GLY . 53.0 mtm-85 -85.23 11.05 10.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' ARG . . . 36.55 82.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.8 126.4 37.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -130.87 165.63 22.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.493 ' CG2' ' HB3' ' A' ' 57' ' ' LEU . 24.5 mm -98.07 137.88 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.7 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.493 ' HB3' ' CG2' ' A' ' 48' ' ' ILE . 9.8 mt -133.84 151.54 51.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.09 123.74 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.0 tp -84.25 119.19 24.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 2.3 tt0 -42.35 -61.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.504 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.7 OUTLIER 86.9 -43.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.79 2.15 24.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 m -145.66 -46.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.92 53.98 0.83 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -137.35 151.99 49.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.362 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.527 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -92.74 102.8 15.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.416 ' N ' HD21 ' A' ' 67' ' ' LEU . 1.6 mm? -100.25 147.45 25.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.471 ' CD2' HD22 ' A' ' 57' ' ' LEU . 12.6 mt -79.4 136.32 36.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.443 ' CD ' ' HG2' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -51.62 -44.18 62.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.443 ' HG2' ' CD ' ' A' ' 69' ' ' LYS . 4.9 pt-20 -176.03 -174.56 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -49.59 127.69 16.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.456 ' O ' ' CD2' ' A' ' 87' ' ' HIS . 72.8 mt -121.93 129.96 74.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.46 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -72.31 152.59 42.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -115.13 116.0 27.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.579 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.409 ' O ' ' HG3' ' A' ' 89' ' ' GLN . 12.7 p90 -147.42 163.33 36.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 88' ' ' PHE . 8.5 mt-30 -141.88 137.74 31.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.0 t -86.21 113.63 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.481 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 11.2 tp -88.51 134.92 33.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.9 mt -125.72 146.63 49.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 94' ' ' SER . 13.1 mttt -97.47 175.29 6.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 93' ' ' LYS . 24.7 p -34.97 111.9 0.43 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.3 Cg_endo -75.01 122.61 8.34 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.979 -0.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.409 ' N ' ' HA ' ' A' ' 94' ' ' SER . 24.1 t -57.63 130.71 20.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.135 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 98' ' ' PHE . 46.6 tt0 -159.25 152.01 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.481 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 51.1 m-85 -129.35 158.49 38.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.469 ' CG2' HG21 ' A' ' 12' ' ' THR . 4.7 mp -134.09 164.83 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.461 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 6.0 mt-30 -127.95 85.05 2.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -87.51 -170.44 46.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -148.35 162.08 40.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.74 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.463 ' CG2' HG12 ' A' ' 17' ' ' VAL . 9.3 mt -131.6 101.94 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -89.47 150.48 22.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.333 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.487 HG21 ' CG2' ' A' ' 99' ' ' ILE . 2.8 t -98.14 -33.3 11.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.412 HD12 ' CD2' ' A' ' 34' ' ' LEU . 14.9 mt -134.37 151.62 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -135.78 124.83 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.535 ' CD2' HG12 ' A' ' 27' ' ' VAL . 8.9 m-85 -107.35 166.48 10.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.9 p -132.39 113.4 13.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.96 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.466 HG12 ' CG2' ' A' ' 103' ' ' ILE . 7.1 p . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.51 134.83 35.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.785 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 tp -68.92 112.82 5.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.535 HG12 ' CD2' ' A' ' 15' ' ' TYR . 34.8 t -86.0 -37.58 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 162.58 -165.29 36.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.418 ' O ' ' OH ' ' A' ' 15' ' ' TYR . 8.9 m-20 -108.83 143.84 37.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.48 HD21 ' CG2' ' A' ' 90' ' ' VAL . 13.2 tp -111.28 -42.87 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.533 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -82.74 -41.75 18.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -73.78 -15.2 61.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.406 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -66.73 -76.27 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.412 ' CD2' HD12 ' A' ' 13' ' ' ILE . 4.5 mm? -62.63 -14.59 45.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.09 16.45 53.97 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.3 mt -73.97 166.78 22.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.7 m -103.19 151.27 22.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 39' ' ' ARG . 2.6 mm? -49.98 -57.61 7.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -36.98 -52.91 0.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.63 -52.47 65.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.533 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -55.37 -25.63 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -83.6 -60.43 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.4 p -55.65 -39.23 70.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -80.41 4.17 18.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 39.12 73.68 0.16 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.67 124.17 38.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -132.96 169.3 16.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.461 ' CG2' ' HB3' ' A' ' 57' ' ' LEU . 18.2 mm -101.1 137.86 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.407 ' HA ' ' CB ' ' A' ' 69' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.461 ' HB3' ' CG2' ' A' ' 48' ' ' ILE . 12.2 mt -148.57 145.97 28.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.05 110.4 3.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.274 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.57 137.82 31.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -98.18 111.94 24.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.263 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.4 -0.07 21.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -13.48 57.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.38 -52.67 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.74 57.71 0.4 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -138.0 152.29 48.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.522 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -95.04 107.23 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -103.04 155.76 18.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.253 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 mt -88.15 142.46 27.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.407 ' CB ' ' HA ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -53.03 -62.85 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -157.2 -173.98 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -48.82 123.9 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 68.2 mt -119.45 134.6 62.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.464 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -74.0 153.13 39.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -113.84 114.19 25.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.621 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.413 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 8.6 p90 -146.66 171.5 15.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 99' ' ' ILE . 2.7 mp0 -154.81 136.31 14.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.48 ' CG2' HD21 ' A' ' 30' ' ' LEU . 15.6 t -85.49 113.5 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 tp -88.21 136.89 32.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.6 mt -125.63 147.78 49.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 94' ' ' SER . 34.6 mttt -100.79 173.15 6.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 93' ' ' LYS . 39.0 p -33.98 110.89 0.38 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.004 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.05 122.74 8.45 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.978 0.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.403 ' N ' ' HA ' ' A' ' 94' ' ' SER . 25.0 t -57.38 140.1 16.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -168.47 146.08 4.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -125.7 154.05 42.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.487 ' CG2' HG21 ' A' ' 12' ' ' THR . 4.2 mp -128.96 165.21 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.484 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 5.2 mt-30 -132.64 86.35 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.345 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.413 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -89.92 -174.42 45.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -140.79 155.31 46.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 110.332 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.466 ' CG2' HG12 ' A' ' 17' ' ' VAL . 8.9 mt -125.82 103.1 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -89.91 154.05 20.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.479 HG21 ' CG2' ' A' ' 99' ' ' ILE . 4.2 t -99.09 -33.18 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.442 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.471 HG13 ' CG2' ' A' ' 12' ' ' THR . 5.1 mt -133.37 143.51 38.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 p -137.27 115.03 11.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.582 ' CE2' ' CD1' ' A' ' 66' ' ' LEU . 3.5 m-85 -97.86 169.06 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.7 p -128.54 115.79 18.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.005 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.45 138.74 44.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 109.987 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.473 HD11 ' CA ' ' A' ' 28' ' ' GLY . 3.6 tp -70.53 111.32 5.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.3 t -80.5 -33.28 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.473 ' CA ' HD11 ' A' ' 26' ' ' LEU . . . 157.65 168.29 19.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.408 ' C ' ' OH ' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -93.1 139.77 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.438 HD21 ' CG2' ' A' ' 90' ' ' VAL . 7.8 tp -104.4 -54.51 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.459 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -60.41 -31.91 70.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -81.44 -34.41 31.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.12 -68.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' A' ' 13' ' ' ILE . 4.3 mm? -62.78 -16.15 56.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.37 10.78 70.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' ALA . 27.3 mt -74.02 163.69 27.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.8 m -99.25 142.78 30.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.588 1.18 . . . . 0.0 110.048 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -41.23 -58.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -39.61 -54.88 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -54.59 -53.55 53.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 0.0 110.295 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.459 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -57.01 -47.08 81.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mt -55.41 -58.88 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.1 p -52.89 -53.15 53.34 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 -64.17 -15.66 60.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.18 76.31 0.2 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.463 ' O ' ' CD2' ' A' ' 59' ' ' LEU . . . -94.03 125.42 38.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.426 ' CG ' ' HB3' ' A' ' 91' ' ' LEU . 8.2 pt20 -129.24 158.23 39.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.4 mm -92.77 130.71 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.0 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.32 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.478 ' CD2' HD22 ' A' ' 68' ' ' LEU . 20.3 mt -117.74 160.18 21.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.37 103.35 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 15.1 tp -78.69 99.5 6.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.456 ' HG2' ' CD2' ' A' ' 67' ' ' LEU . 15.4 pt-20 -48.54 -38.26 19.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 46' ' ' ALA . 1.2 tt0 74.38 3.33 4.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -81.72 -45.56 15.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.0 5.02 8.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.028 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.16 47.37 59.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.405 ' ND2' HD22 ' A' ' 26' ' ' LEU . 13.3 m-20 -119.41 149.98 40.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.582 ' CD1' ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -92.3 119.08 31.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.456 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 2.2 mm? -111.65 140.07 46.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.478 HD22 ' CD2' ' A' ' 57' ' ' LEU . 12.4 mt -81.58 143.45 31.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -42.81 57.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -162.72 -175.6 4.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.65 116.06 3.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mm? . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.9 mt -135.24 138.55 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.47 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -71.71 149.3 45.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -107.21 110.66 22.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.577 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.581 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 4.2 p90 -148.81 169.22 20.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -150.9 163.66 38.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.438 ' CG2' HD21 ' A' ' 30' ' ' LEU . 42.1 t -109.72 115.02 48.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.426 ' HB3' ' CG ' ' A' ' 47' ' ' GLN . 8.4 tp -86.6 134.81 33.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.5 mt -124.82 146.83 49.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 94' ' ' SER . 0.4 OUTLIER -99.27 175.19 5.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.351 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 93' ' ' LYS . 35.5 p -34.88 111.53 0.42 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.02 122.77 8.47 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.99 0.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.406 ' N ' ' HA ' ' A' ' 94' ' ' SER . 21.1 t -57.31 132.67 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.403 ' HG2' ' N ' ' A' ' 98' ' ' PHE . 52.5 tt0 -163.08 159.29 23.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.403 ' N ' ' HG2' ' A' ' 97' ' ' GLN . 90.9 m-85 -137.01 155.52 49.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.479 ' CG2' HG21 ' A' ' 12' ' ' THR . 3.8 mp -125.38 164.67 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.472 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 21.5 mt-30 -118.55 78.9 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.581 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -80.48 164.69 47.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -137.07 153.86 50.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.497 HG13 ' CD2' ' A' ' 88' ' ' PHE . 11.2 mt -125.91 101.48 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 15' ' ' TYR . 4.6 mt-30 -77.07 120.54 22.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.431 ' N ' HD21 ' A' ' 105' ' ' LEU . 4.6 mm? . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.354 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m -160.11 144.99 14.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 110.009 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -153.96 79.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.43 -150.26 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.43 141.66 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.43 160.43 0.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.37 126.19 1.55 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.53 167.79 28.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.79 111.93 2.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.34 -54.68 3.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.95 130.79 22.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.479 ' CG2' ' CG2' ' A' ' 99' ' ' ILE . 5.3 t -108.84 -32.35 7.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.407 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.478 HG13 ' CG2' ' A' ' 12' ' ' THR . 9.6 mt -127.81 147.72 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 p -136.28 116.87 13.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 110.431 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.509 ' CE2' ' HA3' ' A' ' 28' ' ' GLY . 4.4 m-85 -97.23 168.59 10.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.4 p -126.71 122.08 33.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.99 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.532 ' CG2' ' CG2' ' A' ' 21' ' ' THR . 8.9 p -162.25 142.09 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.94 -156.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -113.7 -28.0 7.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 2.0 pt-20 -97.02 21.86 9.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.532 ' CG2' ' CG2' ' A' ' 17' ' ' VAL . 1.7 m -40.75 129.3 2.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.386 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -75.33 161.65 29.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -75.22 128.26 35.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.67 14.49 56.68 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.61 140.88 29.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.983 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.471 HD11 ' CB ' ' A' ' 65' ' ' ASN . 2.2 tp -73.67 112.9 10.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.6 t -75.2 -45.82 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.509 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 174.74 -179.65 45.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 42.5 m-80 -97.92 140.72 31.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.757 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.459 HD22 ' CG2' ' A' ' 90' ' ' VAL . 9.1 tp -110.47 -50.25 2.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.466 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -69.26 -31.51 70.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.7 -24.09 25.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.405 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -62.53 -63.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.427 HD23 ' CD1' ' A' ' 13' ' ' ILE . 12.9 mt -67.03 -11.31 56.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.63 11.25 80.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 mt -79.45 175.04 10.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 0.793 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.5 t -105.99 147.37 28.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.947 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -44.09 -51.23 8.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.99 -55.58 7.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -54.04 -40.72 67.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.466 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -70.8 -30.9 67.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.11 -54.74 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -49.55 -48.61 48.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.374 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -87.12 13.63 9.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 36.41 89.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.459 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -98.77 119.76 38.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.57 172.27 11.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.45 HG13 ' CD2' ' A' ' 66' ' ' LEU . 16.0 mm -102.99 132.44 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.7 mt -113.71 106.26 14.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.361 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 t -136.55 116.12 12.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.25 157.62 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.13 -59.94 5.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -109.28 134.89 51.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.776 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.0 mttt 67.51 112.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -95.31 145.25 25.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.6 mp -97.76 16.43 20.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.468 ' CD2' HD22 ' A' ' 68' ' ' LEU . 75.4 mt -147.01 153.62 40.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -154.75 103.17 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.8 tp -78.56 107.18 11.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.452 ' HG2' ' CD2' ' A' ' 67' ' ' LEU . 7.6 pt-20 -52.53 -33.68 46.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 46' ' ' ALA . 23.0 mt-30 66.8 26.1 9.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -106.33 -48.03 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.89 0.12 8.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.38 57.52 4.24 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.471 ' CB ' HD11 ' A' ' 26' ' ' LEU . 30.7 m-20 -130.35 131.92 45.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.787 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.474 ' CD1' ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -78.97 122.89 26.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.452 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 1.7 mm? -110.25 139.42 45.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.484 ' CD1' ' CG2' ' A' ' 21' ' ' THR . 79.1 mt -80.92 144.42 31.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.62 -60.87 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.34 -175.66 4.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -74.78 116.38 15.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.471 ' CD2' ' HB ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -47.83 173.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.475 ' O ' ' CB ' ' A' ' 74' ' ' ARG . 0.2 OUTLIER -115.7 -71.37 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.475 ' CB ' ' O ' ' A' ' 73' ' ' ASP . 0.2 OUTLIER 159.71 -82.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.348 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -57.47 -37.35 72.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -46.06 -47.27 17.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.4 mt -91.08 -73.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.9 p -148.2 -59.74 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 108.303 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.69 95.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.63 -58.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 109.955 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.9 m -38.5 150.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.425 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 0.3 OUTLIER -111.81 158.11 37.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.425 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.2 Cg_endo -74.97 -13.61 23.46 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.029 -0.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 0.5 OUTLIER 81.42 68.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 108.302 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 88.5 mt -125.73 134.97 65.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.473 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -71.91 150.25 44.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -110.13 112.41 24.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.604 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.546 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 4.5 p90 -148.53 172.1 15.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -153.6 143.47 21.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.459 ' CG2' HD22 ' A' ' 30' ' ' LEU . 98.7 t -88.61 116.83 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.3 tp -93.13 136.89 32.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.9 mt -127.46 146.82 50.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 94' ' ' SER . 13.1 mttt -97.37 175.43 6.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 42.3 p -35.12 111.66 0.44 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.035 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.1 Cg_endo -75.11 122.65 8.39 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.967 0.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.414 ' N ' ' HA ' ' A' ' 94' ' ' SER . 24.0 t -56.67 126.83 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 98' ' ' PHE . 3.8 tm0? -152.97 153.44 32.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.414 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 72.4 m-85 -135.93 148.5 48.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.479 ' CG2' ' CG2' ' A' ' 12' ' ' THR . 3.8 mp -124.16 159.75 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.402 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 8.5 mt-30 -113.47 81.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.546 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -81.7 -177.74 51.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -155.87 155.85 33.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.756 . . . . 0.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.473 ' HB ' ' CB ' ' A' ' 86' ' ' LEU . 10.2 mt -123.26 109.86 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -90.97 144.3 25.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 107' ' ' ASP . 0.3 OUTLIER -69.4 144.22 53.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.75 81.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 105' ' ' LEU . 1.5 m-20 -102.12 53.18 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.9 t -83.98 115.17 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -175.15 66.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 112' ' ' ALA . 24.8 t0 -163.97 -48.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 67.63 -70.62 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.572 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 110' ' ' ASP . . . 70.38 149.34 0.12 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 142.96 28.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -167.22 147.99 5.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -176.6 88.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.44 162.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -152.78 142.83 22.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.3 t0 179.41 106.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.53 141.73 23.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.33 122.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 110.049 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -178.1 112.14 0.36 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.1 . . . . 0.0 111.041 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -177.69 3.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.0 p -164.68 152.26 11.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.036 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.89 154.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.568 1.168 . . . . 0.0 110.981 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t 75.39 -59.85 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m 60.86 158.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.037 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.07 90.57 0.08 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.3 p -167.31 169.92 12.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 0.75 . . . . 0.0 110.012 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.77 130.49 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.89 177.43 19.72 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.84 -58.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.07 -164.82 7.57 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.46 1.1 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.2 t -162.52 -52.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 110.055 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.94 130.06 36.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.488 HG22 ' CG2' ' A' ' 99' ' ' ILE . 3.6 t -97.36 -32.75 11.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.408 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.464 ' CG2' ' OD2' ' A' ' 33' ' ' ASP . 9.0 mt -135.44 149.87 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.6 p -135.54 116.88 14.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.348 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.513 ' CZ ' HD12 ' A' ' 66' ' ' LEU . 4.2 m-85 -96.87 162.16 13.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.6 p -131.12 106.4 8.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.452 ' CG2' ' CG2' ' A' ' 21' ' ' THR . 2.4 p -133.08 125.9 52.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.24 -164.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.247 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -100.1 -25.98 14.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -78.11 59.73 2.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.452 ' CG2' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -103.58 127.59 50.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.397 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.12 156.5 46.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.97 103.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.53 44.86 0.88 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.54 137.67 54.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 110.004 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.422 HD13 ' N ' ' A' ' 27' ' ' VAL . 2.3 tp -81.28 112.7 18.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.464 ' CG2' ' HG ' ' A' ' 68' ' ' LEU . 56.5 t -77.14 -42.7 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.445 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 169.18 179.65 41.29 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' O ' ' OH ' ' A' ' 15' ' ' TYR . 3.3 m-20 -93.03 139.26 30.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.475 HD21 ' CG2' ' A' ' 90' ' ' VAL . 9.9 tp -107.94 -63.28 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.468 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -61.58 -36.44 80.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.16 -20.15 52.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.464 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -70.96 -47.68 57.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.8 mt -89.12 12.9 14.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.69 14.44 29.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' ALA . 40.4 mt -77.01 168.53 19.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -105.84 149.04 26.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.032 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.46 ' CD2' ' O ' ' A' ' 63' ' ' SER . 1.5 mm? -48.11 -60.32 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -41.98 -47.55 4.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -48.79 80.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.255 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.468 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -63.66 -26.54 68.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mp -79.39 -52.85 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.9 p -54.98 -46.17 75.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.433 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' GLY . 25.6 mtm180 -83.09 5.61 21.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 44' ' ' ARG . . . 40.7 93.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.442 ' O ' ' CD2' ' A' ' 59' ' ' LEU . . . -101.58 132.52 47.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -138.82 163.52 32.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.3 mm -98.75 131.51 45.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.6 mt -113.46 107.7 16.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.12 127.01 27.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.962 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.69 143.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -42.53 -76.69 0.1 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -124.0 96.27 4.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.54 -63.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 60.89 104.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 mp -98.38 3.32 48.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.48 HD11 ' CD2' ' A' ' 66' ' ' LEU . 18.9 mt -120.78 158.16 28.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -154.77 114.08 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.442 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 4.9 tp -80.59 113.54 18.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -39.99 -55.56 2.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 1.9 tt0 86.09 -47.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -73.56 -18.86 61.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.46 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 1.6 m -116.18 -47.93 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.948 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.11 42.66 2.03 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.039 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -130.59 156.42 44.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.777 . . . . 0.0 109.343 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.513 HD12 ' CZ ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -91.1 108.58 19.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.477 ' CD2' ' HB2' ' A' ' 60' ' ' GLU . 2.4 mm? -102.54 149.48 24.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.464 ' HG ' ' CG2' ' A' ' 27' ' ' VAL . 3.6 mt -89.55 168.44 12.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.8 -54.28 3.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -153.62 175.08 13.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -50.59 133.93 24.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.56 90.28 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.4 103.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 78' ' ' CYS . 0.2 OUTLIER -59.86 -43.11 94.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.262 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -58.04 -58.87 6.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -49.15 -59.39 3.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.24 -75.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 74' ' ' ARG . 1.8 p -172.03 100.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 108.337 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 80' ' ' SER . . . -46.88 110.33 0.53 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' GLY . 0.2 OUTLIER 37.31 81.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.979 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.427 ' CB ' ' HB2' ' A' ' 78' ' ' CYS . 51.8 m -131.22 165.43 23.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.454 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 17.8 p30 -135.5 147.56 62.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.4 Cg_endo -74.95 -29.26 6.87 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.01 -0.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 71.03 75.98 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 108.292 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 83.5 mt -106.84 131.59 56.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 tt -73.32 151.01 41.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -110.87 113.42 25.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.547 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -143.19 171.42 14.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.28 138.67 17.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.475 ' CG2' HD21 ' A' ' 30' ' ' LEU . 11.4 t -87.93 113.89 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.8 tp -91.33 135.68 33.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.7 mt -128.42 147.48 50.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 94' ' ' SER . 10.1 mttm -99.26 175.35 5.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 93' ' ' LYS . 87.2 p -33.34 110.3 0.35 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.3 Cg_endo -75.03 122.98 8.64 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.965 -2.515 . . . . 0.0 110.978 -0.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.6 t -60.28 137.97 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -170.52 145.17 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.338 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -123.95 158.84 31.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.488 ' CG2' HG22 ' A' ' 12' ' ' THR . 4.4 mp -131.41 165.48 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.483 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 5.5 mt-30 -131.85 80.49 1.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.16 -168.41 44.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -147.47 161.49 40.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 110.267 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.4 mt -130.6 105.25 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -92.11 140.05 30.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.7 129.28 36.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -58.52 127.22 31.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.23 139.66 37.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.0 t -89.48 96.65 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 34.4 t30 177.38 164.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -82.39 111.25 18.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.22 166.55 29.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.585 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -178.02 150.14 0.74 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.464 ' O ' ' CG ' ' A' ' 114' ' ' GLU . 18.1 Cg_endo -75.0 158.65 42.08 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 113' ' ' PRO . 0.6 OUTLIER 174.6 80.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -173.59 135.7 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.14 140.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 177.72 149.56 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -172.87 139.65 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 178.91 167.84 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 t 68.79 149.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -156.85 -178.22 30.73 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 161.07 39.35 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.494 1.786 . . . . 0.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -162.02 149.48 14.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.58 169.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.409 1.068 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 p -128.87 170.92 12.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 0.749 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 p -106.04 169.47 8.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.53 -146.43 13.53 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.29 171.48 14.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.754 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -122.97 171.13 9.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.041 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.26 -159.51 9.34 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.469 1.106 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.59 171.96 4.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.18 160.03 9.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.69 -62.66 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 110.012 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.96 130.53 18.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.461 HG21 ' CG2' ' A' ' 99' ' ' ILE . 5.9 t -102.46 -32.04 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.443 HG13 ' CG2' ' A' ' 12' ' ' THR . 14.0 mt -128.89 150.23 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -135.75 117.03 14.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.564 ' CE2' HD13 ' A' ' 66' ' ' LEU . 2.9 m-85 -101.53 163.86 12.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.8 p -122.0 115.42 22.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.463 ' CG2' HG23 ' A' ' 21' ' ' THR . 5.4 p -160.73 148.72 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -165.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.03 -25.25 11.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.59 25.35 11.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.463 HG23 ' CG2' ' A' ' 17' ' ' VAL . 1.7 m -43.17 128.75 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.405 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -62.38 163.5 8.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -78.81 143.14 36.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.73 22.74 68.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.6 147.25 25.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.449 HD13 ' CB ' ' A' ' 65' ' ' ASN . 1.3 tp -79.64 113.67 17.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.44 HG21 ' CD2' ' A' ' 57' ' ' LEU . 39.4 t -73.27 -47.96 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.528 ' CA ' ' CE2' ' A' ' 15' ' ' TYR . . . 175.46 174.8 42.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' OD1' ' OD1' ' A' ' 65' ' ' ASN . 26.8 m-20 -89.16 130.53 35.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 0.76 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.477 ' CD1' HD12 ' A' ' 66' ' ' LEU . 1.1 tp -101.82 -61.67 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.468 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -52.27 -42.46 63.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -40.94 65.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -45.23 -62.24 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.438 HD21 ' CD1' ' A' ' 13' ' ' ILE . 11.7 mt -69.67 -23.34 63.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.97 16.64 53.94 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.427 1.079 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 77.8 mt -84.87 144.49 28.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 0.725 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 m -73.96 143.91 45.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 39' ' ' ARG . 1.2 mm? -40.99 -59.93 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 38' ' ' LEU . 2.9 ttp180 -38.41 -54.76 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.69 -53.52 46.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.468 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -58.73 -25.11 62.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -81.15 -55.62 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.4 p -53.56 -44.93 69.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' GLY . 54.0 mtp180 -83.75 6.8 19.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.246 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 44' ' ' ARG . . . 36.78 91.8 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.425 ' CB ' HD11 ' A' ' 41' ' ' LEU . . . -101.34 127.62 47.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.7 159.37 41.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.44 ' CG2' ' HB2' ' A' ' 57' ' ' LEU . 12.7 mm -94.26 129.92 43.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.2 mt -110.9 107.5 16.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 m -135.97 127.53 28.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mttt 59.71 157.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.21 -60.45 5.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.094 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.53 133.55 53.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.52 96.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -76.13 158.96 31.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mp -111.06 12.88 21.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.495 ' CD2' HD23 ' A' ' 68' ' ' LEU . 93.1 mt -147.86 154.96 41.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -155.12 107.24 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.5 tp -79.56 98.28 6.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.485 ' HG2' ' CD2' ' A' ' 67' ' ' LEU . 9.0 pt-20 -46.16 -29.13 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 62.91 26.31 15.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -106.43 -49.06 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.72 13.95 7.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.05 57.15 18.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.449 ' CB ' HD13 ' A' ' 26' ' ' LEU . 28.4 m-20 -128.24 135.62 49.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.753 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.564 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -83.1 122.98 29.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.485 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 1.6 mm? -112.73 138.53 49.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.495 HD23 ' CD2' ' A' ' 57' ' ' LEU . 12.4 mt -80.16 143.47 33.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.53 -55.33 8.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -146.42 -177.24 5.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -65.68 110.94 2.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.31 136.7 53.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.455 ' O ' ' CD1' ' A' ' 77' ' ' LEU . 6.7 m-20 -74.25 143.68 44.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -85.42 -73.31 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -48.82 -57.45 6.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -39.15 -64.8 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.455 ' CD1' ' O ' ' A' ' 73' ' ' ASP . 11.1 mt -65.93 -77.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.43 96.08 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 108.317 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -37.49 -44.57 1.25 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.46 97.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.69 -177.38 6.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.366 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.452 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 0.7 OUTLIER -143.16 155.27 61.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.4 Cg_endo -75.02 -20.19 16.79 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.008 -2.496 . . . . 0.0 110.991 0.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.6 t 64.97 67.73 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 108.328 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 54.0 mt -102.59 133.33 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.05 148.29 45.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -106.12 113.88 27.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.581 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.558 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.8 p90 -147.57 172.99 13.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 88' ' ' PHE . 10.1 mp0 -154.15 152.56 30.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.349 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 61.5 t -100.34 110.02 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.6 tp -84.8 137.7 33.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.1 mt -128.25 148.46 50.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.488 ' O ' ' C ' ' A' ' 94' ' ' SER . 21.5 mttm -100.63 174.02 6.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 93' ' ' LYS . 89.4 p -32.11 109.6 0.3 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.3 Cg_endo -75.04 123.69 9.36 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.991 0.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.8 t -61.46 134.86 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -170.99 152.09 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -128.2 156.24 43.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 100' ' ' GLN . 3.8 mp -123.04 163.16 22.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.463 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 7.0 mt-30 -117.65 81.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.558 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -83.59 -177.8 51.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -151.04 153.91 36.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.437 HG13 ' CD2' ' A' ' 88' ' ' PHE . 19.0 mt -125.27 104.36 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 15' ' ' TYR . 20.8 mt-30 -76.34 149.36 37.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 tp -83.83 123.64 30.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -39.31 106.77 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 110.34 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.48 141.7 43.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.1 p -40.39 159.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -171.0 -53.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -177.84 137.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.74 58.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.621 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -177.79 148.88 0.7 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.254 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.53 19.1 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.439 1.758 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.19 138.35 14.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.406 ' O ' ' CB ' ' A' ' 116' ' ' MET . 2.4 t80 -132.18 -42.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.406 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER 75.17 135.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -154.32 133.42 12.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 176.52 142.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -171.24 164.91 7.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.56 167.3 15.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.011 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 163.94 108.88 0.22 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.52 12.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.58 142.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.949 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.42 168.36 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.442 1.089 . . . . 0.0 110.969 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.0 p -177.6 163.34 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.74 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.9 p -170.54 173.41 5.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.51 -160.41 8.34 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.451 1.095 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 p 179.74 144.49 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 109.998 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.91 160.82 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.92 133.86 1.68 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.13 165.43 6.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.76 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.23 130.38 8.59 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 t -161.89 174.78 12.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -46.62 130.31 11.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.474 ' CG2' HG13 ' A' ' 13' ' ' ILE . 5.2 t -96.77 -32.02 12.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.441 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.474 HG13 ' CG2' ' A' ' 12' ' ' THR . 8.2 mt -132.84 149.81 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 p -135.32 117.42 15.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.386 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.523 ' CZ ' HD11 ' A' ' 66' ' ' LEU . 4.1 m-85 -97.78 160.83 14.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.7 p -132.06 105.17 7.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 p -131.92 127.44 58.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.1 -167.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.7 -26.36 14.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -73.78 57.53 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.86 124.45 50.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.411 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.97 -163.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' CG ' ' HA ' ' A' ' 70' ' ' GLU . 6.0 mtm180 -72.54 106.63 4.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.11 35.8 3.32 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.77 135.34 41.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 tp -80.45 113.54 18.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.0 t -76.55 -45.81 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.463 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 172.72 -175.31 45.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.408 ' O ' ' OH ' ' A' ' 15' ' ' TYR . 8.8 m-20 -100.61 140.22 35.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.469 HD22 ' CG2' ' A' ' 90' ' ' VAL . 6.3 tp -109.27 -60.36 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.47 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -61.78 -26.54 68.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.5 -21.7 22.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.427 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -69.51 -54.43 14.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.4 mt -73.22 -7.41 51.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.41 13.38 83.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.0 mt -84.51 177.13 8.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.752 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.88 155.18 24.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.0 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 63' ' ' SER . 3.0 mm? -44.38 -60.32 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.98 -56.53 2.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -52.13 -46.97 65.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.482 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -66.81 -27.93 67.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -76.75 -56.21 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.9 p -49.08 -47.63 44.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 45' ' ' GLY . 17.8 mtm180 -86.33 12.9 9.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' ARG . . . 36.86 91.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.482 ' CB ' ' CD1' ' A' ' 41' ' ' LEU . . . -99.35 125.64 45.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 0.792 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -141.09 158.19 44.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.235 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.9 mm -90.27 131.84 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -78.05 157.46 29.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.4 p -76.68 146.09 38.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.961 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.41 ' NZ ' HD11 ' A' ' 56' ' ' LEU . 5.1 ttpm? -72.95 155.32 39.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -41.84 -31.82 0.85 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.27 -57.99 2.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -168.5 168.23 11.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -72.74 107.87 5.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.41 HD11 ' NZ ' ' A' ' 51' ' ' LYS . 9.2 mp -114.4 16.65 17.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.443 HD12 ' CD2' ' A' ' 66' ' ' LEU . 30.9 mt -132.46 153.02 51.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -155.6 105.71 2.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -78.24 131.65 37.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.337 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 12.3 pt-20 -98.78 111.17 23.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -72.16 -4.13 27.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.38 -10.37 59.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.496 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -148.0 -50.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.61 58.53 0.6 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -135.02 162.15 33.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 0.788 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.523 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -96.61 103.48 15.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.442 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 1.1 mm? -101.84 156.13 17.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 mt -90.4 168.29 11.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.476 ' HA ' ' CE ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -91.14 -36.83 13.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.454 ' HA ' ' CG ' ' A' ' 23' ' ' ARG . 4.3 pt-20 -170.13 -177.85 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -55.73 125.53 21.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.4 ' HB3' ' CD1' ' A' ' 77' ' ' LEU . 1.2 mm? -62.72 152.17 36.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.2 111.04 16.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 78' ' ' CYS . 0.4 OUTLIER -40.67 -54.34 2.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.325 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 76' ' ' GLU . 54.0 mm-40 -57.41 -62.08 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 75' ' ' GLU . 4.3 tt0 -38.81 -55.7 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.4 ' CD1' ' HB3' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -71.77 -76.36 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 74' ' ' ARG . 25.2 p -158.49 94.08 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 108.324 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.47 107.62 0.46 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 41.34 91.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.762 . . . . 0.0 109.963 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.423 ' CG2' ' N ' ' A' ' 82' ' ' ASN . 1.0 OUTLIER -157.63 163.75 37.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.446 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.456 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 4.7 t30 -153.23 139.01 11.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.456 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.3 Cg_endo -74.98 159.47 97.96 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.023 -0.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.5 95.22 5.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 108.272 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.419 ' O ' ' CE1' ' A' ' 87' ' ' HIS . 76.8 mt -122.53 134.89 64.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -72.17 151.09 43.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.419 ' CE1' ' O ' ' A' ' 85' ' ' ILE . 1.3 m-70 -110.51 112.91 25.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.558 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.463 ' CD2' HG13 ' A' ' 103' ' ' ILE . 4.8 p90 -147.3 174.32 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -153.01 172.07 17.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.469 ' CG2' HD22 ' A' ' 30' ' ' LEU . 19.5 t -122.2 114.07 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.575 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 10.1 tp -90.96 135.74 33.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.1 mt -126.59 146.35 50.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 94' ' ' SER . 5.6 mttm -97.32 175.1 6.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.456 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 68.4 p -35.31 111.86 0.45 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.1 Cg_endo -75.01 122.55 8.29 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.948 0.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.409 ' N ' ' HA ' ' A' ' 94' ' ' SER . 17.5 t -58.09 132.36 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 98' ' ' PHE . 40.8 tt0 -160.32 148.98 16.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.575 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 19.3 m-85 -127.46 157.98 38.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.472 ' CG2' ' N ' ' A' ' 100' ' ' GLN . 4.6 mp -133.81 165.82 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.472 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 5.3 mt-30 -133.4 85.55 2.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -89.21 -170.77 45.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -147.61 158.59 44.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.463 HG13 ' CD2' ' A' ' 88' ' ' PHE . 28.7 mt -127.04 107.7 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -97.2 144.63 26.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 tp -83.26 124.52 30.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -39.1 119.73 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -147.62 143.14 27.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.1 t -91.66 135.51 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -102.06 110.32 22.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -141.78 -48.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 59.7 164.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.616 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.14 149.25 97.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.12 19.96 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.503 1.791 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.84 161.3 31.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -140.56 122.75 15.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.89 130.73 50.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -136.02 166.09 24.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -158.26 156.49 30.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.84 168.18 27.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 t -167.04 139.33 3.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -143.4 114.36 0.83 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.67 5.2 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 111.029 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.87 155.45 40.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.975 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.29 167.69 29.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.985 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.2 -58.56 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.0 109.978 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -174.99 170.39 3.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.992 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.93 -172.29 13.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t -170.66 148.23 2.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 110.004 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.64 155.47 14.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.014 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.66 167.36 14.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -171.67 172.61 4.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.31 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.0 167.22 16.36 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.9 m -97.66 -55.26 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 109.997 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.456 ' HB2' ' CG ' ' A' ' 102' ' ' GLU . . . -97.32 130.43 44.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.478 ' CG2' ' CG2' ' A' ' 99' ' ' ILE . 6.8 t -103.59 -32.18 9.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.474 HG13 ' CG2' ' A' ' 12' ' ' THR . 13.8 mt -129.48 148.83 33.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 p -136.37 116.86 13.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.488 ' OH ' ' CD1' ' A' ' 30' ' ' LEU . 5.0 m-85 -96.18 156.62 16.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.5 p -122.23 108.66 13.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.476 ' CG2' ' CG2' ' A' ' 21' ' ' THR . 2.6 p -134.58 129.16 52.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -166.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -95.77 -28.76 14.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.43 59.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.476 ' CG2' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -108.82 127.16 53.79 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.108 . . . . 0.0 110.382 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 24' ' ' GLY . 0.6 OUTLIER -138.74 162.37 34.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -37.93 95.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.35 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 117.75 44.24 0.55 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.504 1.127 . . . . 0.0 111.028 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.409 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -118.37 131.54 56.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 0.731 . . . . 0.0 110.001 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.407 HD12 ' CB ' ' A' ' 65' ' ' ASN . 3.6 tp -80.91 111.49 17.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.3 t -78.39 -41.02 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.81 166.23 19.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 1.0 OUTLIER -83.1 140.22 32.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.488 ' CD1' ' OH ' ' A' ' 15' ' ' TYR . 12.3 tp -101.43 -31.87 10.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.47 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -80.11 -41.15 26.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -72.19 -24.39 61.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.75 -65.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.241 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.434 HD22 ' CD1' ' A' ' 13' ' ' ILE . 10.1 mt -71.5 -7.66 48.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.91 15.62 80.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' ALA . 15.5 mt -80.52 159.85 25.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.794 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.4 m -90.01 143.67 26.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -40.67 -54.25 2.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 42' ' ' ILE . 1.4 ttt180 -45.24 -58.95 2.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -49.19 -43.22 42.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.47 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -67.75 -26.21 66.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -82.41 -57.19 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -54.14 -45.57 72.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.443 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -81.45 5.54 17.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 41.5 91.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.403 ' CB ' HD11 ' A' ' 41' ' ' LEU . . . -103.27 124.17 48.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.4 ' NE2' HD23 ' A' ' 91' ' ' LEU . 11.5 pt20 -133.69 165.25 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.468 HG13 ' CD2' ' A' ' 66' ' ' LEU . 15.0 mm -100.3 129.92 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.3 mt -115.15 107.21 15.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 p -135.59 137.48 41.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? 50.38 -177.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.261 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.69 126.54 7.57 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.101 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 44.72 35.13 1.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.95 57.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -77.62 141.26 39.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mp -108.55 19.38 19.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.6 mt -136.39 149.01 48.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -155.22 111.01 3.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.9 tp -78.88 118.87 21.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.495 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -55.52 -40.26 71.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 65.86 9.18 5.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -106.88 -37.86 6.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.94 9.15 6.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.92 52.72 50.57 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.548 1.155 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.407 ' CB ' HD12 ' A' ' 26' ' ' LEU . 46.3 m-20 -131.38 140.28 49.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.468 ' CD2' HG13 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -86.41 122.88 30.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.495 ' CD2' ' HB2' ' A' ' 60' ' ' GLU . 2.3 mm? -110.33 134.84 51.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.409 ' CD1' ' HB3' ' A' ' 25' ' ' SER . 4.3 mt -79.46 148.16 32.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -43.96 72.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -172.13 -176.53 1.67 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.1 ttpt -49.69 123.32 7.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 77' ' ' LEU . 0.7 OUTLIER -62.3 120.59 11.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.09 115.02 15.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 78' ' ' CYS . 12.6 ptt180 -52.93 -42.82 65.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.16 -64.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -39.62 -52.63 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 72' ' ' LEU . 4.7 mt -71.4 -77.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 74' ' ' ARG . 0.8 OUTLIER -162.1 -71.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 108.328 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.28 -47.82 1.07 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.8 -57.99 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.2 m -44.97 155.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.451 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.435 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 0.5 OUTLIER -138.08 157.46 72.89 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.435 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.3 Cg_endo -74.99 -171.39 9.32 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.032 -0.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.96 78.62 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 108.311 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.3 mt -114.27 134.5 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.1 152.58 42.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -113.44 111.28 21.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.588 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.531 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 6.3 p90 -144.62 173.87 11.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -150.66 149.26 29.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.474 HG22 ' CD2' ' A' ' 30' ' ' LEU . 49.2 t -99.24 112.43 31.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.466 HD11 ' CZ ' ' A' ' 98' ' ' PHE . 8.1 tp -90.5 136.12 33.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 75.9 mt -131.45 148.48 52.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 94' ' ' SER . 13.8 mttm -100.06 175.38 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.372 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 93' ' ' LYS . 59.6 p -32.45 109.6 0.31 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.96 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.423 ' C ' ' O ' ' A' ' 93' ' ' LYS . 18.2 Cg_endo -75.02 122.28 8.07 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.969 0.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.3 t -63.27 133.06 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -168.77 146.94 3.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.466 ' CZ ' HD11 ' A' ' 91' ' ' LEU . 7.0 m-85 -122.91 158.68 29.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.478 ' CG2' ' CG2' ' A' ' 12' ' ' THR . 4.2 mp -129.91 162.7 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.433 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 1.8 mt-30 -117.34 70.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.531 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -76.3 162.13 52.22 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' A' ' 11' ' ' ALA . 10.0 mm-40 -130.13 165.83 21.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 31.9 mt -133.07 117.21 28.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -107.37 144.18 34.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tp -83.35 130.45 35.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.52 165.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.34 169.74 11.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.1 m -50.82 112.28 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.58 156.39 42.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -109.79 -61.3 1.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -172.17 174.69 3.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.563 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -117.81 145.01 35.6 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -175.18 2.23 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.502 1.791 . . . . 0.0 111.047 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.93 174.58 5.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.22 -14.43 21.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 117' ' ' GLU . 0.3 OUTLIER 55.99 16.81 2.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 116' ' ' MET . 5.7 tt0 -38.83 147.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -171.08 167.35 7.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.91 138.51 23.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.2 p -164.66 134.06 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -169.92 132.06 2.42 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.578 1.174 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 179.95 5.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.517 1.799 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.95 114.91 10.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.3 p -109.94 166.7 10.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.996 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.566 1.166 . . . . 0.0 111.027 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 t -172.08 170.3 5.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.023 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.46 169.02 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.33 150.93 5.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -176.67 145.98 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 109.981 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.35 167.04 1.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.025 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.98 149.78 5.37 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 0.0 111.054 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.2 159.67 23.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.44 168.27 11.41 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.557 1.161 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.2 m -135.7 -48.65 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.98 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.478 ' CB ' ' CD ' ' A' ' 102' ' ' GLU . . . -101.42 129.26 47.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.475 HG21 ' CG2' ' A' ' 99' ' ' ILE . 5.0 t -106.23 -32.42 8.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.449 HG13 ' CG2' ' A' ' 12' ' ' THR . 6.8 mt -129.48 147.31 33.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -136.25 116.61 13.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.436 ' CE2' ' HA3' ' A' ' 28' ' ' GLY . 2.7 m-85 -100.88 168.74 9.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.0 p -130.51 122.46 27.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.962 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.491 ' CG2' ' CG2' ' A' ' 21' ' ' THR . 8.9 p -160.45 166.27 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.93 -173.98 5.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.73 -26.03 14.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -97.71 18.59 15.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.491 ' CG2' ' CG2' ' A' ' 17' ' ' VAL . 1.2 m -40.1 125.5 2.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -66.44 167.67 10.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.442 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -81.33 144.26 31.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.32 26.47 74.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.138 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.39 148.77 22.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 0.768 . . . . 0.0 110.043 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.47 HD13 ' CA ' ' A' ' 28' ' ' GLY . 1.5 tp -77.34 113.05 14.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.6 t -81.29 -39.65 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.47 ' CA ' HD13 ' A' ' 26' ' ' LEU . . . 164.88 157.07 9.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' O ' ' OD1' ' A' ' 33' ' ' ASP . 6.2 p30 -79.16 131.52 36.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.783 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.444 ' CD2' HG23 ' A' ' 90' ' ' VAL . 9.8 tp -98.71 -37.85 9.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.464 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -68.35 -55.81 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -38.52 84.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 29' ' ' ASN . 0.1 OUTLIER -46.55 -54.55 9.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.2 mt -90.5 22.96 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 48.32 26.0 4.63 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.3 mt -84.41 161.37 20.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 m -98.21 145.22 26.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.495 ' O ' ' CD1' ' A' ' 42' ' ' ILE . 2.3 mm? -46.84 -52.99 12.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.7 ttp-105 -47.21 -45.85 23.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -63.83 -51.2 65.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.464 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -59.64 -24.86 64.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -81.0 -50.58 16.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.8 p -54.81 -49.89 69.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.362 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 36.1 mtm-85 -77.7 1.59 19.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 41.09 62.81 1.67 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.434 ' O ' ' CD2' ' A' ' 59' ' ' LEU . . . -73.62 118.98 17.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.455 ' CG ' ' HB3' ' A' ' 91' ' ' LEU . 6.5 pt20 -124.99 159.8 30.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.325 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.473 HG13 ' CD2' ' A' ' 66' ' ' LEU . 42.8 mm -95.33 135.96 27.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.9 mt -106.26 106.43 16.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.51 98.84 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 77.62 -175.32 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -144.08 50.71 0.66 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.135 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 176.36 -51.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.753 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.01 72.01 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -41.0 150.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.34 -42.93 2.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.476 ' CD2' HD22 ' A' ' 68' ' ' LEU . 17.1 mt -107.37 154.54 21.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.03 105.0 2.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.434 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 11.8 tp -78.87 107.49 11.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.9 OUTLIER -40.92 -51.67 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.488 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 4.9 tt0 84.82 -10.07 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -93.74 -36.46 12.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.4 -10.47 14.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.408 ' N ' HD11 ' A' ' 38' ' ' LEU . . . 70.24 48.46 38.42 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -135.16 149.92 50.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.473 ' CD2' HG13 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -84.9 123.2 30.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 60' ' ' GLU . 1.4 mm? -113.54 134.55 54.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.476 HD22 ' CD2' ' A' ' 57' ' ' LEU . 8.6 mt -80.21 131.7 35.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.47 -61.22 2.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.442 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 3.2 pt-20 -146.24 -174.9 4.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -57.0 120.38 7.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.443 ' HB3' ' CD1' ' A' ' 77' ' ' LEU . 1.2 mm? -63.13 152.45 37.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.68 132.55 51.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 78' ' ' CYS . 2.9 mtt180 -65.0 -72.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.407 ' HA ' ' CA ' ' A' ' 79' ' ' GLY . 20.1 tt0 -45.43 -59.58 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -39.33 -60.45 0.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 72' ' ' LEU . 10.4 mt -70.52 -78.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.421 ' N ' ' O ' ' A' ' 74' ' ' ARG . 15.0 p -150.46 89.2 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 108.305 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.407 ' CA ' ' HA ' ' A' ' 75' ' ' GLU . . . -42.1 -57.43 3.59 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.435 1.084 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.29 69.59 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.962 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.1 m -132.02 159.27 39.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.379 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.469 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 4.9 p-10 -140.44 147.37 49.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.3 Cg_endo -75.0 132.59 28.07 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.045 -2.481 . . . . 0.0 110.999 0.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.432 ' N ' ' HA ' ' A' ' 82' ' ' ASN . 1.7 t -68.71 96.85 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 108.298 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 82.8 mt -133.29 134.2 57.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.45 150.29 43.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -109.17 110.7 21.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.581 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.568 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.5 p90 -143.94 166.92 23.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -144.68 158.98 43.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.444 HG23 ' CD2' ' A' ' 30' ' ' LEU . 98.1 t -105.97 105.52 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.455 ' HB3' ' CG ' ' A' ' 47' ' ' GLN . 6.8 tp -79.71 133.83 36.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 51.5 mt -124.55 146.85 48.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 94' ' ' SER . 10.5 mttm -99.65 173.87 6.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 93' ' ' LYS . 28.4 p -35.17 111.63 0.44 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.419 ' C ' ' O ' ' A' ' 93' ' ' LYS . 18.2 Cg_endo -75.07 122.45 8.22 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.004 -2.498 . . . . 0.0 111.007 0.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.415 ' N ' ' HA ' ' A' ' 94' ' ' SER . 24.2 t -56.6 134.86 20.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 98' ' ' PHE . 2.7 tm0? -163.44 158.22 20.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.436 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 97.2 m-85 -139.1 149.04 44.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.475 ' CG2' HG21 ' A' ' 12' ' ' THR . 3.5 mp -122.99 163.63 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.465 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 5.1 mt-30 -118.99 89.04 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.568 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -88.54 178.83 45.97 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.491 1.12 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.478 ' CD ' ' CB ' ' A' ' 11' ' ' ALA . 40.2 mp0 -146.21 148.69 32.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.744 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.487 HG13 ' CE2' ' A' ' 88' ' ' PHE . 10.7 mt -123.67 98.86 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -74.62 131.35 40.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.337 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -83.74 130.8 34.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.45 154.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -149.04 166.82 27.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.3 t -83.04 103.91 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -178.84 144.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 39.4 t0 179.74 143.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -175.96 -62.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.619 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 66.46 115.01 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 158.99 41.87 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -143.43 153.44 42.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.2 t80 54.26 171.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.968 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.78 163.46 27.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -174.99 146.49 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -122.91 142.21 51.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -178.94 154.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.7 m -169.86 169.68 8.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.028 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -160.41 157.26 28.64 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -178.83 4.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.432 1.754 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 24.4 p -172.59 170.42 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.983 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.1 m -130.35 170.49 14.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.0 p -163.45 164.7 24.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.001 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.11 149.3 25.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.35 -143.57 14.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.565 1.166 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -172.35 154.23 3.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.778 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 m -165.56 168.57 16.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.953 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.72 -126.19 0.97 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 63.11 156.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.32 149.33 16.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.48 173.6 4.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 109.996 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.62 130.01 16.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.472 HG22 ' CG2' ' A' ' 99' ' ' ILE . 5.0 t -99.39 -32.87 10.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.429 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.43 ' CD1' HD21 ' A' ' 34' ' ' LEU . 16.3 mt -129.67 150.11 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -135.99 117.23 14.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.413 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.543 ' CE1' ' OD2' ' A' ' 33' ' ' ASP . 5.6 m-85 -100.91 166.54 10.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 p -132.0 117.25 18.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.996 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.578 ' CG2' ' CG2' ' A' ' 21' ' ' THR . 7.9 p -140.25 139.71 35.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.16 -168.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -101.34 -6.28 24.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -93.97 45.38 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.578 ' CG2' ' CG2' ' A' ' 17' ' ' VAL . 0.9 OUTLIER -84.31 -175.4 5.77 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.8 -164.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.469 ' CA ' ' HA ' ' A' ' 70' ' ' GLU . 6.3 ptt180 -78.57 54.32 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.36 42.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.43 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -115.4 136.84 52.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 27' ' ' VAL . 2.5 tp -83.24 113.07 20.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.487 ' CG2' ' HG ' ' A' ' 68' ' ' LEU . 42.5 t -82.13 -40.41 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.99 -169.14 39.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 4.6 m120 -107.49 140.45 40.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.414 ' CD2' HD12 ' A' ' 48' ' ' ILE . 12.1 tp -105.46 -61.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.482 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -54.88 -41.02 70.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.64 -44.86 61.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.543 ' OD2' ' CE1' ' A' ' 15' ' ' TYR . 1.1 m-20 -40.16 -70.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.43 HD21 ' CD1' ' A' ' 13' ' ' ILE . 9.1 mt -63.18 -25.42 68.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.42 18.54 38.42 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ALA . 79.8 mt -84.37 165.78 17.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 0.747 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 m -93.62 155.49 17.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.998 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -50.83 -59.51 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -42.74 -44.95 4.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -62.43 -47.81 82.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.482 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -63.74 -25.02 68.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -82.81 -53.39 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.2 p -56.01 -44.84 79.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.421 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -79.59 -0.68 34.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 43.2 71.37 0.42 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.76 116.46 25.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.434 ' OE1' ' CD2' ' A' ' 91' ' ' LEU . 12.9 pt20 -123.84 162.03 24.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.414 HD12 ' CD2' ' A' ' 30' ' ' LEU . 17.2 mm -94.4 135.59 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.8 mt -120.57 109.84 15.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.8 m -134.93 129.96 35.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.402 ' NZ ' ' HG2' ' A' ' 76' ' ' GLU . 1.3 mmtm 63.61 135.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -39.52 -63.65 1.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.441 1.088 . . . . 0.0 111.012 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.98 135.21 53.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.1 mttp 74.52 110.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -95.77 145.91 24.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 mp -104.34 18.15 22.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.453 HD22 ' CD2' ' A' ' 68' ' ' LEU . 15.8 mt -132.62 152.3 51.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.71 103.47 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.56 134.52 35.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -91.04 115.23 27.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -84.53 11.5 8.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.49 4.22 50.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.32 -45.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.82 67.84 0.61 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -143.73 152.92 41.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.465 HD13 ' CZ ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -98.77 104.78 16.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 67' ' ' LEU . 1.3 mm? -101.61 149.37 24.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.487 ' HG ' ' CG2' ' A' ' 27' ' ' VAL . 2.8 mt -86.45 147.23 26.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -53.47 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.469 ' HA ' ' CA ' ' A' ' 23' ' ' ARG . 6.2 pt-20 -166.57 -175.21 3.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -45.34 123.05 3.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -73.05 129.08 37.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.01 127.55 33.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 78' ' ' CYS . 53.4 mtt180 -67.09 -54.14 24.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -55.51 -62.42 1.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.402 ' HG2' ' NZ ' ' A' ' 51' ' ' LYS . 3.1 tt0 -38.42 -61.39 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 mt -65.27 -75.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.403 ' N ' ' O ' ' A' ' 74' ' ' ARG . 0.8 OUTLIER -153.94 -74.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 108.304 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 125.33 -60.86 0.62 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.88 55.43 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.955 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 82' ' ' ASN . 4.2 m -129.63 157.31 42.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.48 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 4.7 p-10 -140.45 144.37 36.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.48 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.4 Cg_endo -75.02 158.41 99.0 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.987 0.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.93 86.62 2.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 108.321 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 93.8 mt -115.98 134.56 58.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.98 152.55 42.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -111.34 110.6 21.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.595 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.476 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.4 p90 -144.0 170.71 15.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.6 mp0 -153.01 145.78 24.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.8 t -94.09 127.78 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.434 ' CD2' ' OE1' ' A' ' 47' ' ' GLN . 7.1 tp -98.68 134.74 41.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.8 mt -127.92 148.09 50.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 94' ' ' SER . 21.8 mttm -103.15 173.55 6.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.506 ' C ' ' O ' ' A' ' 93' ' ' LYS . 52.2 p -31.37 108.61 0.27 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.425 ' C ' ' O ' ' A' ' 93' ' ' LYS . 18.2 Cg_endo -75.03 122.63 8.35 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.008 -2.496 . . . . 0.0 111.007 0.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.6 t -64.37 134.39 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -168.8 145.88 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -117.37 158.6 24.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.472 ' CG2' HG22 ' A' ' 12' ' ' THR . 4.5 mp -129.23 156.4 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -116.63 72.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.476 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -73.81 -178.39 37.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -147.4 158.72 44.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.461 HG13 ' CE2' ' A' ' 88' ' ' PHE . 20.8 mt -130.71 108.73 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -91.68 133.0 35.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 106' ' ' GLN . 2.2 mm? -82.08 114.72 20.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 105' ' ' LEU . 1.1 mm-40 -38.65 123.83 1.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.05 100.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.1 t -96.76 101.71 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 174.52 100.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 177.31 118.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -148.68 59.36 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.641 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -171.84 148.16 2.09 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 136.6 20.54 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.478 1.778 . . . . 0.0 111.021 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.94 151.35 24.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -136.8 166.74 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 8.0 tpt -113.24 15.63 19.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -111.92 129.92 56.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 t70 176.71 166.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 61.92 127.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.32 158.08 43.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -40.54 119.18 1.3 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.19 11.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.535 1.808 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.6 m -158.63 150.9 21.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.6 t -146.27 168.58 20.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.34 107.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 110.025 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.83 138.48 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.973 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.1 102.16 0.54 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.117 . . . . 0.0 110.982 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.13 124.32 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.954 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.11 157.12 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.74 173.74 16.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 64.72 124.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.28 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.99 152.65 9.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.05 -56.7 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.25 130.59 8.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.464 ' CG2' HG13 ' A' ' 13' ' ' ILE . 6.7 t -103.07 -32.11 9.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.385 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.464 HG13 ' CG2' ' A' ' 12' ' ' THR . 12.0 mt -132.11 149.67 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.4 p -135.81 117.53 15.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.521 ' CZ ' HD11 ' A' ' 66' ' ' LEU . 5.6 m-85 -98.09 165.27 11.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 p -132.47 107.26 8.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.448 ' CG2' HG23 ' A' ' 21' ' ' THR . 2.8 p -130.8 129.33 63.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.91 -157.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -111.62 -24.73 9.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 110.334 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.29 54.57 2.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.448 HG23 ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -95.43 127.51 41.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.18 -163.66 0.94 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.441 ' CG ' ' HA ' ' A' ' 70' ' ' GLU . 24.0 mtm180 -73.71 108.32 6.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.47 52.59 1.31 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.28 132.68 56.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 0.809 . . . . 0.0 109.983 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.428 HD11 ' N ' ' A' ' 27' ' ' VAL . 2.2 tp -75.65 113.92 13.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.474 HG13 ' CD2' ' A' ' 15' ' ' TYR . 41.6 t -80.67 -41.51 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.507 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 170.2 -173.69 44.22 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.408 ' O ' ' OH ' ' A' ' 15' ' ' TYR . 5.6 m-80 -102.0 144.44 30.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.753 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.462 HD21 ' CG2' ' A' ' 90' ' ' VAL . 11.9 tp -116.98 -55.51 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.476 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -66.2 -23.7 66.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -93.89 -23.62 18.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.49 -48.79 63.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.9 mt -86.76 11.76 12.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 55.25 22.84 31.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.0 mt -82.35 175.85 9.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.81 148.18 32.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.444 ' CD1' ' O ' ' A' ' 61' ' ' GLN . 1.4 mm? -45.93 -64.48 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -40.39 -45.56 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 110.274 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -61.98 -49.26 76.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -62.33 -23.86 67.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 109.284 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mp -84.75 -56.35 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.5 p -55.8 -38.18 69.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.344 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -82.84 3.42 29.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 41.29 75.72 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.474 ' O ' ' CD2' ' A' ' 59' ' ' LEU . . . -96.0 125.2 40.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -133.23 158.74 42.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.438 HG12 ' CB ' ' A' ' 59' ' ' LEU . 25.9 mm -93.19 136.88 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.1 mt -115.85 108.62 16.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 m -132.39 110.11 10.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.983 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 73.39 -70.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.53 -123.49 1.38 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -44.59 -49.48 10.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.6 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 76.42 114.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.87 4.06 19.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.468 HD11 ' CD2' ' A' ' 66' ' ' LEU . 15.5 mt -133.19 155.66 48.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.62 112.04 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 3.7 tp -78.83 111.06 14.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.4 OUTLIER -38.11 -56.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.493 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.8 OUTLIER 85.59 -46.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -8.67 57.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.24 -44.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.25 39.74 3.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.404 ' OD1' ' OD1' ' A' ' 29' ' ' ASN . 89.2 m-20 -126.33 155.77 41.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 0.726 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.521 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -93.3 104.8 16.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.487 ' CD2' ' HB2' ' A' ' 60' ' ' GLU . 2.0 mm? -100.69 154.56 18.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 mt -87.59 177.02 7.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.79 -40.04 6.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.441 ' HA ' ' CG ' ' A' ' 23' ' ' ARG . 2.4 pt-20 -167.07 -177.87 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -57.96 124.24 18.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.433 ' CD2' ' HB ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -63.05 134.69 56.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.33 114.53 27.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 78' ' ' CYS . 7.6 ptp180 -52.49 -51.56 58.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -57.12 -64.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.331 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -38.85 -53.31 1.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.3 mt -69.1 -74.51 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 74' ' ' ARG . 0.8 OUTLIER -160.52 -71.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 108.293 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 108.71 -54.42 0.55 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.536 1.148 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.4 m -126.85 -47.56 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 110.002 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.8 m -44.9 150.07 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.363 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.461 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 2.3 p30 -130.57 153.88 81.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.364 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.4 Cg_endo -74.98 -171.26 9.13 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.048 -0.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.09 56.17 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.315 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 95.8 mt -96.69 135.69 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -73.32 152.99 40.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -112.87 114.33 26.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.603 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.503 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 5.7 p90 -147.06 169.2 19.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -152.05 143.68 23.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.462 ' CG2' HD21 ' A' ' 30' ' ' LEU . 38.1 t -91.82 108.04 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.485 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 7.2 tp -86.3 136.73 33.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.6 mt -127.92 147.59 50.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 94' ' ' SER . 9.4 mttt -97.72 174.71 6.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 93' ' ' LYS . 26.3 p -34.67 111.57 0.42 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.4 Cg_endo -74.97 123.18 8.82 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.008 -0.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.405 ' N ' ' HA ' ' A' ' 94' ' ' SER . 24.7 t -57.6 126.48 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.4 ' HG2' ' N ' ' A' ' 98' ' ' PHE . 52.7 tt0 -152.19 154.23 35.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.485 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 80.4 m-85 -136.86 158.08 45.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.463 ' CG2' HG21 ' A' ' 12' ' ' THR . 4.1 mp -134.11 163.42 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.458 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 5.9 mt-30 -124.99 85.25 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.503 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -87.8 -173.69 47.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -147.59 158.21 43.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.767 . . . . 0.0 110.283 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.443 ' HB ' ' CB ' ' A' ' 86' ' ' LEU . 13.6 mt -129.26 107.47 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -96.48 146.2 25.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.1 tp -93.32 149.74 21.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -68.09 75.29 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 109' ' ' ASN . 21.7 m-20 -108.52 55.56 0.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.405 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 25.0 m -51.03 95.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 107' ' ' ASP . 7.2 m-20 175.81 88.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 173.03 93.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 52.31 175.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.647 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.04 151.21 38.12 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 133.55 16.76 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.59 165.71 27.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -159.42 173.08 16.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.6 ttm -162.78 170.79 17.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.75 158.17 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.62 167.95 22.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -141.89 170.68 15.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 90.3 p -126.6 170.36 12.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -141.17 156.97 25.87 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -177.88 3.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.806 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 41.3 t -170.89 146.5 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.028 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.3 p -100.71 171.15 7.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.5 m -151.94 125.89 9.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 109.975 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.22 124.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.975 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.3 96.06 2.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.9 p -105.87 161.29 14.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.957 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.49 102.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.48 118.67 4.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 65.87 139.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.76 120.55 0.54 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.6 m -95.45 166.64 11.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 65.96 131.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.48 ' CG2' HG13 ' A' ' 13' ' ' ILE . 6.8 t -106.47 -32.09 8.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.421 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.48 HG13 ' CG2' ' A' ' 12' ' ' THR . 17.3 mt -125.49 149.45 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -136.54 117.38 14.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.442 ' CE2' ' HA3' ' A' ' 28' ' ' GLY . 4.5 m-85 -96.74 159.05 15.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 p -127.11 106.92 9.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.49 ' CG2' ' CG2' ' A' ' 21' ' ' THR . 2.5 p -131.33 129.15 62.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.76 -164.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -98.36 -28.78 13.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.88 57.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.49 ' CG2' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -104.52 123.62 47.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.365 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.85 179.79 4.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.476 ' CG ' ' HA ' ' A' ' 70' ' ' GLU . 0.9 OUTLIER -60.66 100.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.37 34.48 1.93 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.403 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -98.1 137.97 36.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 109.982 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.422 HD12 ' CA ' ' A' ' 28' ' ' GLY . 2.0 tp -81.16 114.75 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.401 ' N ' HD13 ' A' ' 26' ' ' LEU . 95.0 t -86.91 -37.55 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.442 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 159.79 170.99 25.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 0.9 OUTLIER -96.08 137.48 35.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.741 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.2 tp -93.56 -44.78 8.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.438 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -66.82 -40.82 88.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.31 -31.71 65.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -66.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.458 HD21 ' CD1' ' A' ' 13' ' ' ILE . 8.4 mt -69.86 -8.22 46.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.74 16.95 80.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' ALA . 15.2 mt -74.42 169.05 18.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' LEU . 8.3 t -99.36 139.67 34.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.97 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 63' ' ' SER . 2.9 mm? -40.15 -56.48 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.65 -48.37 5.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -60.7 -51.63 68.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.438 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -59.43 -25.56 64.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.351 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.444 ' CD1' ' O ' ' A' ' 38' ' ' LEU . 1.1 mp -80.49 -54.15 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 p -53.94 -54.3 40.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.402 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -76.25 -1.29 25.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 41.55 74.44 0.17 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.09 117.72 23.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -118.24 170.33 8.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.489 ' CG2' ' HB3' ' A' ' 57' ' ' LEU . 17.0 mm -101.5 134.68 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.4 mt -119.71 111.38 17.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.1 m -135.22 123.32 22.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.27 169.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.72 73.91 0.34 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -177.7 -54.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.13 95.5 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -50.28 128.12 18.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.413 ' HA ' ' CB ' ' A' ' 69' ' ' LYS . 3.3 mp -94.95 16.39 16.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.489 ' HB3' ' CG2' ' A' ' 48' ' ' ILE . 10.2 mt -140.74 138.99 34.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -141.64 104.59 4.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.433 ' CB ' HG12 ' A' ' 48' ' ' ILE . 20.5 tp -80.38 96.89 6.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -35.8 -49.32 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.24 3.83 4.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.461 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -86.3 -19.43 29.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.498 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -143.06 -46.25 0.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 110.001 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.05 60.17 0.14 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.499 1.125 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -143.26 139.92 30.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.462 ' CD2' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -88.1 125.08 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 1.6 mm? -114.53 132.52 56.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.403 ' CD1' ' HB3' ' A' ' 25' ' ' SER . 4.3 mt -73.66 142.33 46.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.413 ' CB ' ' HA ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -65.33 -49.51 69.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.476 ' HA ' ' CG ' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -151.39 -175.34 5.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.307 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -66.66 117.59 9.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.473 ' CD2' ' HB ' ' A' ' 21' ' ' THR . 1.1 mm? -51.75 132.35 31.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.98 137.32 37.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 78' ' ' CYS . 0.8 OUTLIER -63.5 -62.93 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -47.09 -58.02 4.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -41.26 -63.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 mt -66.29 -77.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 74' ' ' ARG . 1.3 p -151.12 -64.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 108.259 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 99.62 -46.07 1.46 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.47 -50.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 110.013 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.1 m -44.12 163.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.167 . . . . 0.0 110.396 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.447 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 0.7 OUTLIER -143.57 156.24 60.06 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.4 Cg_endo -75.02 -172.35 10.65 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.971 -2.512 . . . . 0.0 111.001 -0.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.49 66.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 108.301 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.2 mt -109.77 131.25 61.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.466 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -71.68 142.05 49.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -106.55 113.97 27.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.631 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.55 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 6.8 p90 -143.69 173.37 11.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -153.64 143.8 22.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.402 ' HB ' ' HB ' ' A' ' 99' ' ' ILE . 76.8 t -89.15 126.21 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.8 tp -98.62 133.58 42.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 41.3 mt -123.14 144.36 49.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 94' ' ' SER . 7.7 mttt -98.01 174.34 6.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 93' ' ' LYS . 21.8 p -35.02 111.34 0.42 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.429 ' C ' ' O ' ' A' ' 93' ' ' LYS . 18.2 Cg_endo -75.01 122.65 8.36 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 121.041 -2.483 . . . . 0.0 110.974 0.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.405 ' N ' ' HA ' ' A' ' 94' ' ' SER . 23.3 t -55.61 127.27 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 98' ' ' PHE . 1.2 tm0? -150.82 161.62 42.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.435 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 84.1 m-85 -141.89 154.31 45.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.476 ' CG2' HG22 ' A' ' 12' ' ' THR . 3.9 mp -133.83 150.09 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.554 ' O ' ' CG ' ' A' ' 100' ' ' GLN . 3.1 pt20 -105.57 90.61 3.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.55 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -96.34 167.09 24.65 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 13' ' ' ILE . 60.9 mm-40 -136.31 160.94 37.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.474 ' CD1' HD13 ' A' ' 57' ' ' LEU . 25.6 mt -128.98 112.84 26.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -103.93 146.62 28.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.0 tp -90.62 130.53 36.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -47.95 166.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -77.06 130.52 37.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.1 t -89.98 109.32 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -171.68 114.5 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -53.86 -55.79 23.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.225 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.3 m170 60.64 82.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.583 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.93 151.92 0.32 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 163.18 35.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.468 1.773 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.0 139.46 4.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -141.39 100.65 3.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.02 121.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.74 144.1 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.254 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 178.58 164.2 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -113.53 161.79 16.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.1 164.64 11.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.952 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -98.85 145.8 17.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -174.31 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 26.9 m 60.41 149.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.022 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -175.02 -58.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t 65.04 157.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.84 165.82 25.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.001 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.65 -175.66 39.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.51 158.66 7.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 110.005 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -106.27 -58.4 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.07 132.29 4.79 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.437 1.085 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.9 165.93 11.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 0.736 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.18 172.75 16.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.73 -59.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 109.987 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.04 129.69 45.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.489 ' CG2' HG13 ' A' ' 13' ' ' ILE . 5.9 t -102.55 -32.13 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.402 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.489 HG13 ' CG2' ' A' ' 12' ' ' THR . 10.3 mt -129.24 150.05 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 p -136.13 117.91 15.09 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.501 1.125 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.57 ' CE2' HD12 ' A' ' 66' ' ' LEU . 3.9 m-85 -99.83 169.47 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.3 p -132.41 121.6 23.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.6 p -151.88 144.8 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.77 -164.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.48 -27.44 10.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -94.03 54.19 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.513 ' CG2' ' CD1' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -90.09 130.48 36.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.377 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -119.74 161.54 20.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -46.45 129.35 10.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.02 37.89 5.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.72 131.96 54.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 0.0 110.026 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.423 HD13 ' CA ' ' A' ' 28' ' ' GLY . 2.5 tp -76.33 111.98 12.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.405 ' CG2' ' HG ' ' A' ' 68' ' ' LEU . 62.8 t -81.27 -37.76 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.568 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 164.56 179.53 38.71 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.451 ' OD1' ' ND2' ' A' ' 65' ' ' ASN . 16.0 m-80 -103.15 140.06 37.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.473 HD22 ' CG2' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -111.15 -36.38 5.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.465 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -72.56 -37.78 68.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -78.6 -45.84 20.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -40.98 -69.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' A' ' 13' ' ' ILE . 7.4 mt -63.37 -22.17 66.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.12 14.57 60.33 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' ALA . 31.8 mt -80.52 143.05 33.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.47 149.1 42.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 63' ' ' SER . 1.4 mm? -42.98 -60.64 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -38.44 -57.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.098 . . . . 0.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -49.73 -55.55 13.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.465 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -54.72 -29.37 53.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.437 ' CD1' HD12 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -78.84 -60.62 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.3 p -53.78 -49.83 67.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.436 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.0 mtp85 -70.1 -7.44 41.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 46.11 96.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.455 ' O ' ' CD2' ' A' ' 59' ' ' LEU . . . -111.05 135.74 51.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.461 ' CG ' ' HB3' ' A' ' 91' ' ' LEU . 4.3 pt20 -138.72 165.71 26.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.47 HG13 ' CD2' ' A' ' 66' ' ' LEU . 12.8 mm -100.45 130.57 49.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 mt -109.27 105.74 15.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.16 128.55 28.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.424 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . 0.0 OUTLIER 61.32 153.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.02 -69.25 1.33 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.509 1.13 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -109.23 164.1 12.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 41.19 86.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -64.39 171.47 3.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 51' ' ' LYS . 3.7 mp -119.58 6.39 11.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.471 HD23 ' CD2' ' A' ' 68' ' ' LEU . 16.9 mt -134.31 159.29 41.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.1 tt0 -155.53 112.44 3.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.455 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 11.3 tp -81.59 108.49 15.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 2.6 mt-10 -38.64 -56.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.469 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER 84.33 -48.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.36 -15.95 63.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.498 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -120.86 -49.6 2.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.08 42.04 1.58 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.435 1.085 . . . . 0.0 111.027 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.451 ' ND2' ' OD1' ' A' ' 29' ' ' ASN . 20.7 m120 -131.01 150.93 51.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.57 HD12 ' CE2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -90.76 104.67 17.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 58' ' ' GLN . 1.7 mm? -103.28 134.62 46.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.513 ' CD1' ' CG2' ' A' ' 21' ' ' THR . 3.7 mt -65.48 -175.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.07 -51.88 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -146.43 -173.44 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -72.24 119.16 16.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.475 ' CD2' ' HB ' ' A' ' 21' ' ' THR . 0.3 OUTLIER -61.26 128.65 37.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.23 87.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -43.68 -57.25 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -53.98 -66.33 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -39.98 -70.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.0 mt -57.02 -79.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.4 p -171.8 -64.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 108.3 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 43.12 50.61 6.28 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.1 -66.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.015 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.5 m -67.34 162.41 22.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.472 ' CB ' ' HA ' ' A' ' 83' ' ' PRO . 7.6 m-20 -111.57 161.0 27.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.472 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 18.3 Cg_endo -75.05 -39.7 1.39 Allowed 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.024 -2.49 . . . . 0.0 110.951 0.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 0.7 OUTLIER 83.84 86.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 108.264 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 97.1 mt -128.71 128.64 67.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.0 tt -71.81 138.8 48.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -97.84 117.0 31.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.573 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.578 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.3 p90 -147.52 168.94 20.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -150.99 149.27 29.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.473 ' CG2' HD22 ' A' ' 30' ' ' LEU . 47.2 t -92.41 113.01 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.461 ' HB3' ' CG ' ' A' ' 47' ' ' GLN . 7.4 tp -88.06 134.21 33.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.5 mt -123.8 148.39 46.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 94' ' ' SER . 0.0 OUTLIER -98.11 174.52 6.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 93' ' ' LYS . 14.0 p -35.22 111.85 0.44 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.416 ' C ' ' O ' ' A' ' 93' ' ' LYS . 18.3 Cg_endo -74.99 122.15 7.96 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.984 -0.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.423 ' N ' ' HA ' ' A' ' 94' ' ' SER . 40.8 t -56.27 128.42 16.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 98' ' ' PHE . 6.6 tm0? -151.35 162.38 41.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.433 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 86.4 m-85 -142.68 151.72 41.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.484 ' CG2' HG22 ' A' ' 12' ' ' THR . 4.4 mp -131.24 156.5 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.57 ' O ' ' CG ' ' A' ' 100' ' ' GLN . 3.4 pt20 -110.83 93.49 4.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.578 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -93.85 179.23 38.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -149.77 157.79 43.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.2 mt -128.78 105.67 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -85.49 142.92 28.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.77 120.7 23.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.39 108.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.93 126.5 33.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.7 p -43.0 130.76 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -169.93 114.94 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -98.18 137.79 36.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -172.25 169.59 5.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.624 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.16 145.49 30.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.5 12.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.799 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.16 127.0 55.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -82.71 168.73 16.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.1 mtt -69.51 163.94 24.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.053 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -171.1 138.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.91 153.41 29.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.12 139.88 53.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.4 m -122.66 96.58 5.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.4 149.13 36.63 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.142 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 164.71 32.79 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 40.7 p -109.24 158.84 17.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.98 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 53.8 p -125.83 153.82 43.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 0.0 110.038 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.31 144.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.01 171.86 16.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.89 -167.2 12.43 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.459 1.1 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.23 149.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 0.728 . . . . 0.0 109.975 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -172.33 155.38 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.74 153.15 6.96 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -177.84 164.02 1.88 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 0.786 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.42 147.73 4.78 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -162.62 175.83 10.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.782 . . . . 0.0 109.972 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.7 129.29 19.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.487 HG23 ' CG2' ' A' ' 99' ' ' ILE . 5.1 t -95.82 -32.67 12.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.477 ' CG2' ' OD2' ' A' ' 33' ' ' ASP . 7.8 mt -133.79 149.45 30.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -134.2 116.67 15.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.472 ' CZ ' HD13 ' A' ' 66' ' ' LEU . 3.7 m-85 -95.13 160.4 14.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 p -132.11 105.24 7.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.456 ' CG2' ' CG2' ' A' ' 21' ' ' THR . 2.9 p -127.79 138.37 54.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.503 ' CB ' ' OE2' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -72.17 -169.49 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -99.57 -8.66 24.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.503 ' OE2' ' CB ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -88.65 43.33 1.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.456 ' CG2' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -93.03 125.51 37.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.397 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.14 178.99 4.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.47 ' CG ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -57.23 102.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.84 46.72 1.45 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.22 141.8 40.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.993 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.428 HD11 ' CA ' ' A' ' 28' ' ' GLY . 3.1 tp -82.64 111.59 18.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.429 ' CG2' ' HG ' ' A' ' 68' ' ' LEU . 57.7 t -78.93 -39.06 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.428 ' CA ' HD11 ' A' ' 26' ' ' LEU . . . 164.32 177.2 36.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -91.97 141.19 28.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.79 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.467 ' CD2' HG21 ' A' ' 90' ' ' VAL . 6.1 tp -108.04 -54.53 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.472 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -61.78 -44.02 97.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -73.34 -24.5 60.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.477 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -61.12 -52.85 63.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.1 mt -83.72 5.52 24.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.68 15.33 68.6 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.433 1.083 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' ALA . 77.3 mt -82.78 172.87 12.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.1 m -110.16 154.22 23.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -47.21 -64.46 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.1 ttp-105 -38.47 -52.72 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -56.6 -51.82 67.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.472 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -60.51 -26.0 66.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mp -79.77 -52.59 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 p -54.9 -43.03 72.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.158 . . . . 0.0 110.405 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -85.35 9.63 14.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 40.15 90.59 0.01 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.476 ' O ' ' CD2' ' A' ' 59' ' ' LEU . . . -101.11 128.65 47.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.33 159.93 41.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.442 ' CG2' ' HB3' ' A' ' 57' ' ' LEU . 7.6 mm -92.83 132.16 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -79.57 166.32 22.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.1 m -76.37 149.63 36.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.74 66.19 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.01 -59.11 2.06 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -135.51 -63.35 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 0.781 . . . . 0.0 109.354 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.79 162.74 22.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -115.13 113.98 24.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 mp -111.18 18.72 19.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.442 ' HB3' ' CG2' ' A' ' 48' ' ' ILE . 13.0 mt -137.36 149.18 46.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.6 119.37 4.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.476 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 10.3 tp -84.13 121.99 28.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 1.4 mm-40 -50.78 -55.44 16.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 4.2 tt0 89.34 -27.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.335 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.467 ' CG ' ' OE2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -96.21 -13.11 23.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.12 -40.45 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.042 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.37 41.78 5.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.555 1.16 . . . . 0.0 110.976 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -129.92 162.0 29.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.472 HD13 ' CZ ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -95.82 107.68 19.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -102.35 150.78 22.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.429 ' HG ' ' CG2' ' A' ' 27' ' ' VAL . 4.3 mt -89.15 164.46 15.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -47.42 8.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.47 ' HA ' ' CG ' ' A' ' 23' ' ' ARG . 3.5 pt-20 -159.22 -174.47 4.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.34 122.01 12.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.441 ' HB3' ' CD1' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -57.62 146.5 30.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -104.57 131.47 51.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 78' ' ' CYS . 11.1 mtm180 -63.05 -51.14 67.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 76' ' ' GLU . 1.5 mt-10 -55.3 -66.58 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.35 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 75' ' ' GLU . 2.8 tt0 -38.86 -60.54 0.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 72' ' ' LEU . 4.3 mt -62.87 -76.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 74' ' ' ARG . 1.6 p -162.69 -62.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 108.287 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.3 -50.13 2.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.56 -45.57 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 0.726 . . . . 0.0 109.996 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 97.8 m -57.9 149.36 22.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.477 ' CB ' ' HA ' ' A' ' 83' ' ' PRO . 6.1 m-20 -127.3 161.66 53.05 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.477 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 18.5 Cg_endo -74.97 173.75 56.24 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.058 -0.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.55 71.01 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.341 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.4 mt -114.5 135.09 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.468 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -73.58 153.32 40.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.404 ' CD2' ' N ' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -112.43 117.16 31.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.614 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -151.0 173.71 13.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -154.79 167.01 31.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.467 HG21 ' CD2' ' A' ' 30' ' ' LEU . 24.6 t -118.19 112.94 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.558 ' CD1' ' CZ ' ' A' ' 98' ' ' PHE . 5.2 tp -93.74 135.99 34.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 89.8 mt -124.43 149.44 46.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 94' ' ' SER . 5.2 mttm -98.07 174.63 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.454 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 24.7 p -35.47 111.77 0.46 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.5 Cg_endo -75.0 122.25 8.05 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.943 -2.524 . . . . 0.0 111.02 0.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.417 ' N ' ' HA ' ' A' ' 94' ' ' SER . 19.1 t -55.58 137.5 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.57 160.01 33.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.558 ' CZ ' ' CD1' ' A' ' 91' ' ' LEU . 35.9 m-85 -142.44 155.28 45.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.487 ' CG2' HG23 ' A' ' 12' ' ' THR . 4.9 mp -136.47 166.13 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.456 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 5.4 mt-30 -136.54 92.58 2.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.08 -169.16 36.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -146.4 156.62 43.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.468 ' HB ' ' CB ' ' A' ' 86' ' ' LEU . 30.3 mt -123.68 106.25 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -90.98 132.63 35.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -85.97 119.71 26.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -46.86 131.05 12.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -55.24 139.11 43.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 p -40.27 152.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -113.34 134.64 54.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -178.95 138.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -120.55 115.93 24.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.572 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -172.06 123.02 0.49 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 154.15 42.26 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.454 ' O ' ' CG ' ' A' ' 114' ' ' GLU . 1.6 pt-20 -118.58 75.65 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.499 ' O ' ' CG ' ' A' ' 115' ' ' PHE . 24.0 p90 -43.98 117.96 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.02 126.01 46.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -80.67 140.08 35.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -170.12 132.76 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -156.7 142.66 17.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 59.8 p -157.01 118.84 3.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -138.6 122.6 2.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 170.11 21.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.4 m -139.99 -58.28 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.8 m -52.84 156.5 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.957 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.028 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.2 p -166.34 129.59 2.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 0.744 . . . . 0.0 110.039 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.52 170.15 22.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.14 -161.45 10.26 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.16 -58.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 0.0 109.966 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.73 159.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.82 -83.38 0.06 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 65.45 161.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 47.44 -140.17 8.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 70.84 173.66 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 0.0 109.964 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -46.8 130.01 11.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.469 HG21 ' CG2' ' A' ' 99' ' ' ILE . 5.8 t -102.95 -32.54 9.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.444 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.464 HG13 ' CG2' ' A' ' 12' ' ' THR . 11.2 mt -130.91 152.41 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p -134.76 116.79 15.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.425 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.578 ' CD2' HG12 ' A' ' 27' ' ' VAL . 5.1 m-85 -99.41 157.94 16.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.0 p -132.44 106.6 7.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.494 ' CG2' ' CG2' ' A' ' 21' ' ' THR . 3.9 p -126.9 133.02 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.71 -169.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.87 -27.51 16.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.426 ' O ' ' CG ' ' A' ' 20' ' ' GLU . 4.8 pt-20 -74.46 61.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.494 ' CG2' ' CG2' ' A' ' 17' ' ' VAL . 0.7 OUTLIER -102.78 -179.19 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.434 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 168.05 -161.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.468 ' CA ' ' HA ' ' A' ' 70' ' ' GLU . 0.3 OUTLIER -78.69 58.65 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.09 42.65 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.507 1.13 . . . . 0.0 111.036 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.0 136.38 54.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.775 . . . . 0.0 109.978 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.426 HD11 ' CA ' ' A' ' 28' ' ' GLY . 3.3 tp -84.9 112.69 20.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.578 HG12 ' CD2' ' A' ' 15' ' ' TYR . 75.0 t -76.98 -40.53 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.426 ' CA ' HD11 ' A' ' 26' ' ' LEU . . . 164.77 -161.34 34.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.405 ' C ' ' OH ' ' A' ' 15' ' ' TYR . 8.0 m120 -107.93 142.77 37.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.1 tp -109.3 -53.27 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.465 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -77.05 -41.85 40.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -18.43 64.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.82 -73.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.431 HD21 ' CD1' ' A' ' 13' ' ' ILE . 3.9 mm? -62.29 -16.36 53.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.52 15.93 48.26 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 31' ' ' ALA . 24.1 mt -83.74 156.85 22.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.8 157.68 16.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.971 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 42' ' ' ILE . 3.0 mm? -49.34 -61.28 2.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -38.66 -57.86 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.21 -48.05 65.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.465 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -66.27 -24.32 66.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -80.05 -53.86 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.5 p -48.66 -46.13 39.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.411 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.0 mtm180 -85.9 12.51 9.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.87 88.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.4 ' CB ' HD11 ' A' ' 41' ' ' LEU . . . -94.98 124.73 39.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -138.28 159.36 42.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 10.5 mm -92.36 131.22 40.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.565 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -77.33 156.82 31.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.0 t -78.88 152.92 30.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.458 ' HD3' ' CD1' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -63.95 -70.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.91 -45.46 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -98.6 -61.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.4 160.51 36.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -86.2 132.11 34.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.256 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.458 ' CD1' ' HD3' ' A' ' 51' ' ' LYS . 1.3 mp -122.02 20.05 10.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.466 HD11 ' CD2' ' A' ' 66' ' ' LEU . 16.0 mt -138.64 151.58 47.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.6 tt0 -155.24 116.7 4.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' GLU . 14.4 tp -88.21 101.53 13.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -38.29 -56.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 2.3 tt0 86.33 -13.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.05 -30.38 15.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.65 -28.0 7.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.048 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.01 43.39 6.36 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -127.24 152.48 47.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.776 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.515 HD12 ' CZ ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -90.74 106.99 18.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 58' ' ' GLN . 2.3 mm? -103.63 151.43 22.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.463 ' HG ' ' CG2' ' A' ' 27' ' ' VAL . 2.2 mt -88.18 162.97 16.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.421 ' CB ' ' HA ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -78.67 -48.31 15.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.468 ' HA ' ' CA ' ' A' ' 23' ' ' ARG . 5.9 pt-20 -173.51 -174.83 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -42.69 119.07 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.437 ' HB3' ' CD1' ' A' ' 77' ' ' LEU . 1.5 mm? -66.43 124.08 21.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -78.05 125.62 29.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -79.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -38.91 -55.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.32 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -41.05 -47.75 3.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -81.22 -74.7 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -149.76 -75.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 108.316 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . 103.6 80.54 1.44 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 0.2 OUTLIER 82.03 -56.34 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 110.006 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.9 m -44.98 155.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.429 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 0.8 OUTLIER -131.31 158.52 75.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.429 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.2 Cg_endo -75.08 -174.63 14.5 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.959 -2.517 . . . . 0.0 110.985 0.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.15 70.99 1.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 108.276 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 88.9 mt -113.41 122.91 68.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.405 HD22 ' N ' ' A' ' 87' ' ' HIS . 3.0 tt -72.4 128.78 36.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.405 ' N ' HD22 ' A' ' 86' ' ' LEU . 6.6 p-80 -90.35 118.74 30.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.62 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.429 ' CD1' HG13 ' A' ' 103' ' ' ILE . 6.3 p90 -144.58 175.91 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.444 ' CG ' ' O ' ' A' ' 99' ' ' ILE . 2.7 mp0 -153.4 166.48 32.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.277 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.6 t -119.16 114.8 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.568 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 4.5 tp -90.35 135.35 33.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.4 mt -126.42 152.18 46.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 94' ' ' SER . 9.6 mttt -101.12 174.8 5.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 93' ' ' LYS . 0.8 OUTLIER -31.9 109.09 0.29 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.476 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.1 Cg_endo -75.05 122.8 8.49 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.973 -2.511 . . . . 0.0 110.983 0.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.5 t -64.0 134.7 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.244 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.418 ' HG2' ' N ' ' A' ' 98' ' ' PHE . 40.3 tt0 -169.95 156.78 6.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 7.7 m-85 -127.18 158.69 36.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.469 ' CG2' HG21 ' A' ' 12' ' ' THR . 4.5 mp -128.36 162.46 34.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.428 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 6.3 mt-30 -128.25 88.64 2.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -94.88 -176.73 38.13 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -136.03 165.67 25.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 0.803 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.429 HG13 ' CD1' ' A' ' 88' ' ' PHE . 8.1 mt -137.45 103.71 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -98.27 152.88 18.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 tp -89.44 126.6 35.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -39.51 106.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -175.63 135.2 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.255 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.3 p -41.5 161.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -105.57 93.52 4.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -149.86 141.57 23.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -169.44 114.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.617 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -169.89 130.15 0.93 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.91 19.36 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -104.02 142.64 34.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -159.95 -176.04 5.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.37 142.26 26.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -173.9 144.18 1.01 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.43 103.89 1.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -167.84 132.34 1.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 t -179.75 108.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.959 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -164.86 131.58 2.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.85 32.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.83 141.94 33.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.26 164.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.125 . . . . 0.0 111.027 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.58 132.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.999 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -168.26 167.45 12.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.14 -164.12 38.31 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.35 165.9 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.96 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -140.42 171.43 14.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.022 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.66 95.39 0.16 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.31 174.31 14.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.65 159.49 4.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.9 m -144.86 155.08 43.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 110.029 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.447 ' CB ' ' HG3' ' A' ' 102' ' ' GLU . . . -127.36 130.11 48.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.505 HG22 ' CG2' ' A' ' 99' ' ' ILE . 4.8 t -99.75 -32.68 10.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.37 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.467 HG13 ' CG2' ' A' ' 12' ' ' THR . 7.3 mt -128.42 147.26 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p -136.22 117.47 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.414 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.582 ' CE2' ' CD1' ' A' ' 66' ' ' LEU . 3.1 m-85 -98.7 170.61 8.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.6 p -131.14 117.72 19.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.049 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.44 ' CG2' HG21 ' A' ' 21' ' ' THR . 8.9 p -160.84 140.02 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.66 -162.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.51 -25.14 10.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.29 35.71 2.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.478 ' HB ' ' CD1' ' A' ' 68' ' ' LEU . 3.3 m -49.81 132.32 22.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.401 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -65.05 161.67 18.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -67.89 134.73 51.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.47 50.28 50.73 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.565 1.166 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.05 136.67 51.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 0.754 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.469 HD11 ' CA ' ' A' ' 28' ' ' GLY . 1.3 tp -66.39 112.39 4.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.483 ' CG2' HD22 ' A' ' 68' ' ' LEU . 50.4 t -77.88 -42.46 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.56 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 172.5 173.17 38.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 7.3 m-80 -92.29 136.5 33.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.9 tp -108.9 -38.57 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.465 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -78.02 -28.31 49.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.19 -15.81 27.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -72.91 -52.22 15.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.8 mt -83.6 6.41 20.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.31 16.5 64.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.8 mt -78.05 170.7 16.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.9 t -107.86 154.32 21.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 61' ' ' GLN . 1.9 mm? -49.45 -62.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 -42.58 -46.27 4.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.7 -46.75 89.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.465 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -66.55 -24.56 66.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.458 ' CD1' HD11 ' A' ' 38' ' ' LEU . 1.1 mp -81.38 -46.45 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 p -61.56 -44.15 97.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 -83.8 -0.09 49.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 39.77 79.87 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.547 1.154 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.455 ' O ' ' CD2' ' A' ' 59' ' ' LEU . . . -89.41 124.58 34.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 0.753 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.404 ' CD ' ' CD2' ' A' ' 91' ' ' LEU . 13.8 pt20 -127.6 154.11 45.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.487 ' CG2' ' HB3' ' A' ' 57' ' ' LEU . 48.9 mm -90.63 138.39 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.1 mt -115.97 105.75 13.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.0 m -137.08 98.47 3.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm 65.05 113.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -84.66 52.2 4.67 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 t30 176.86 40.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.68 -65.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 77.2 101.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mp -111.33 13.13 21.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.487 ' HB3' ' CG2' ' A' ' 48' ' ' ILE . 14.9 mt -149.52 145.0 26.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.457 ' NE2' ' HZ3' ' A' ' 69' ' ' LYS . 2.2 tt0 -154.94 119.64 4.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.455 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 6.2 tp -86.15 113.37 22.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -40.6 -50.65 3.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 3.8 tt0 85.3 -46.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.77 -6.9 54.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.27 -45.34 1.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.42 50.82 1.8 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -146.96 153.62 40.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.582 ' CD1' ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -86.4 118.75 26.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.444 ' CD2' ' HB2' ' A' ' 60' ' ' GLU . 1.8 mm? -109.89 134.22 52.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.483 HD22 ' CG2' ' A' ' 27' ' ' VAL . 53.0 mt -74.89 151.8 38.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.457 ' HZ3' ' NE2' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -94.46 -33.14 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -165.1 -174.18 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -71.78 120.1 16.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.469 ' CD2' ' HB ' ' A' ' 21' ' ' THR . 0.4 OUTLIER -61.89 103.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -47.51 140.22 6.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -79.04 -72.24 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -50.89 -53.15 35.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.243 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' C ' ' CD ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -41.77 -67.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 72' ' ' LEU . 11.6 mt -68.32 -76.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 7.0 p -173.61 100.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 108.267 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.96 107.65 1.01 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.3 t 41.54 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 0.722 . . . . 0.0 109.966 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.471 ' CG2' ' N ' ' A' ' 82' ' ' ASN . 1.3 m -141.66 168.45 19.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.437 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.471 ' N ' ' CG2' ' A' ' 81' ' ' THR . 4.1 m120 -141.98 145.38 35.97 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.4 Cg_endo -74.98 -5.95 21.87 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.018 -0.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 22.6 t 43.95 86.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 108.286 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.5 mt -113.24 136.58 49.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.475 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -71.92 152.36 42.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -109.98 109.86 20.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.629 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.5 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.5 p90 -146.07 170.56 16.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -154.94 143.33 20.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.403 ' HB ' ' HB ' ' A' ' 99' ' ' ILE . 94.5 t -88.55 116.57 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.404 ' CD2' ' CD ' ' A' ' 47' ' ' GLN . 5.4 tp -95.55 136.84 35.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 39.9 mt -125.88 146.36 49.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 94' ' ' SER . 13.7 mttt -99.37 173.25 6.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.476 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 22.8 p -34.15 110.94 0.39 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.476 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.3 Cg_endo -75.03 122.9 8.57 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.988 0.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.406 ' N ' ' HA ' ' A' ' 94' ' ' SER . 24.0 t -56.58 135.48 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 98' ' ' PHE . 4.0 tm0? -161.29 153.0 19.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.438 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 48.9 m-85 -136.64 150.82 48.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.505 ' CG2' HG22 ' A' ' 12' ' ' THR . 3.8 mp -128.26 162.9 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.566 ' O ' ' CG ' ' A' ' 100' ' ' GLN . 4.8 pt20 -118.82 94.57 4.5 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.5 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -100.07 176.06 27.83 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.447 ' HG3' ' CB ' ' A' ' 11' ' ' ALA . 20.6 mt-10 -142.81 155.46 44.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.773 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.475 ' HB ' ' CB ' ' A' ' 86' ' ' LEU . 19.7 mt -123.87 102.07 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -78.44 148.73 33.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 107' ' ' ASP . 1.3 tp -84.63 128.98 34.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 105' ' ' LEU . 0.1 OUTLIER -38.21 96.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 105' ' ' LEU . 1.8 p-10 -63.13 108.89 1.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.4 t -89.82 90.38 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -179.56 167.38 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -77.56 98.42 5.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.52 172.67 12.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.629 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -115.03 142.79 29.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -175.8 2.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.39 149.93 3.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -93.83 147.44 23.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 111.048 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.93 154.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.13 158.49 16.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -110.04 119.47 39.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -91.67 144.49 25.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.248 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 t -133.88 163.54 29.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -138.75 118.57 1.6 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 166.27 29.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.6 m -131.7 167.2 19.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.0 p -169.75 166.54 9.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.955 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 m 61.72 154.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.979 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.66 166.19 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.0 -171.81 25.22 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.73 154.56 33.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 0.795 . . . . 0.0 110.022 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -177.98 114.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.989 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.56 153.4 2.15 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -116.56 166.91 11.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.91 87.88 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.1 m -152.39 169.24 23.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 0.794 . . . . 0.0 109.994 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.04 131.08 23.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.475 ' CG2' ' CG2' ' A' ' 99' ' ' ILE . 6.0 t -105.48 -32.18 8.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.474 ' CD1' HD21 ' A' ' 34' ' ' LEU . 18.0 mt -126.82 149.22 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -136.64 117.16 13.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.535 ' CE1' ' OD2' ' A' ' 33' ' ' ASP . 3.7 m-85 -100.89 159.1 15.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.3 p -128.14 114.86 17.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.417 ' CG2' ' CG2' ' A' ' 21' ' ' THR . 4.0 p -138.25 131.88 41.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -165.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.2 -28.56 13.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.37 57.63 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.46 ' HB ' ' CD2' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -106.11 127.2 53.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.404 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 24' ' ' GLY . 0.5 OUTLIER -134.71 159.0 42.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -38.36 98.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 118.07 40.84 0.67 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.442 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -116.12 137.33 52.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.954 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.449 HD12 ' CA ' ' A' ' 28' ' ' GLY . 2.1 tp -83.04 113.09 20.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.469 ' CG2' ' HG ' ' A' ' 68' ' ' LEU . 85.7 t -83.36 -37.27 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.449 ' CA ' HD12 ' A' ' 26' ' ' LEU . . . 156.48 166.18 15.86 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.43 ' OD1' ' N ' ' A' ' 33' ' ' ASP . 12.7 p30 -90.16 146.04 24.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.475 ' CD2' HG22 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -111.0 -49.88 2.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.479 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -60.38 -22.52 63.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.5 -35.6 12.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.535 ' OD2' ' CE1' ' A' ' 15' ' ' TYR . 12.3 m-20 -56.39 -58.99 5.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.474 HD21 ' CD1' ' A' ' 13' ' ' ILE . 11.0 mt -69.91 -10.02 57.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.35 20.21 77.33 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.6 mt -83.72 178.76 7.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.1 m -114.53 148.29 38.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.34 -64.13 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -42.25 -50.01 4.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -48.09 78.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.479 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -63.02 -23.7 67.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.07 -47.2 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 47.3 p -54.7 -50.37 68.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -85.96 6.9 26.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 110.307 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.13 83.49 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.451 ' CB ' HD11 ' A' ' 41' ' ' LEU . . . -96.02 119.21 34.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 0.737 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -122.93 167.76 13.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.446 HG12 ' CB ' ' A' ' 59' ' ' LEU . 21.2 mm -98.33 133.48 40.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 mt -117.45 108.18 15.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.1 t -134.53 108.45 8.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.412 ' NZ ' ' HG3' ' A' ' 76' ' ' GLU . 1.2 mtmt 72.02 -64.0 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.13 -61.01 0.31 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -62.1 -46.04 90.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -128.97 79.14 1.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.47 132.44 53.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mt -115.01 11.1 16.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.438 ' HB3' ' CG2' ' A' ' 48' ' ' ILE . 8.4 mt -139.61 149.76 44.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -155.49 115.39 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.446 ' CB ' HG12 ' A' ' 48' ' ' ILE . 1.4 tp -79.06 144.29 34.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.499 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 1.6 mt-10 -98.06 103.66 15.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -76.7 1.0 18.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.95 0.84 39.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.3 -55.47 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.989 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . 111.87 54.31 0.5 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -139.83 157.05 46.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.53 HD11 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -92.7 113.19 25.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.499 ' CD2' ' HB2' ' A' ' 60' ' ' GLU . 2.5 mm? -107.5 139.26 42.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.469 ' HG ' ' CG2' ' A' ' 27' ' ' VAL . 3.6 mt -79.72 163.98 24.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.04 -53.06 4.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -153.96 -177.81 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -55.63 124.96 19.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.46 ' CD2' ' HB ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -64.39 104.66 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.55 127.17 17.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 78' ' ' CYS . 0.0 OUTLIER -75.26 -14.39 60.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -87.76 -58.92 2.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.412 ' HG3' ' NZ ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -44.48 -63.83 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.266 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 mt -71.63 -78.23 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 74' ' ' ARG . 1.9 p -179.35 -41.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 108.282 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 108.57 -58.47 0.39 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 43.3 t 179.09 61.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 0.795 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.507 ' CG2' ' O ' ' A' ' 81' ' ' THR . 0.3 OUTLIER -118.98 6.99 11.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.477 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 15.0 t-20 61.32 140.02 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.4 Cg_endo -75.01 -26.92 8.78 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.042 0.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 61.2 70.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 108.297 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.6 mt -122.22 131.49 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.402 1.064 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.477 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -72.03 134.49 45.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -97.97 115.45 28.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.62 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.513 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.6 p90 -150.65 171.79 16.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -154.89 148.49 25.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.475 HG22 ' CD2' ' A' ' 30' ' ' LEU . 87.0 t -91.55 121.9 42.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.5 tp -97.1 136.29 37.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.0 mt -125.19 146.88 49.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 94' ' ' SER . 8.1 mttm -98.53 174.83 6.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 93' ' ' LYS . 21.8 p -34.66 111.09 0.41 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.428 ' C ' ' O ' ' A' ' 93' ' ' LYS . 18.4 Cg_endo -75.03 122.36 8.13 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.981 0.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.406 ' N ' ' HA ' ' A' ' 94' ' ' SER . 35.8 t -56.06 139.02 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 98' ' ' PHE . 9.2 tm0? -165.64 157.63 14.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.454 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 96.4 m-85 -138.17 147.98 44.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.475 ' CG2' ' CG2' ' A' ' 12' ' ' THR . 4.2 mp -125.52 160.21 32.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.416 ' N ' HG23 ' A' ' 99' ' ' ILE . 3.0 mt-30 -116.26 100.32 7.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.513 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -101.3 178.12 27.7 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -145.11 161.44 39.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.736 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.477 ' HB ' ' CB ' ' A' ' 86' ' ' LEU . 9.2 mt -133.33 106.0 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -94.64 151.83 18.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tp -84.95 128.7 34.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.38 114.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -61.89 142.1 57.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.3 t -90.29 103.87 14.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 41.0 p-10 -170.93 162.32 7.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.11 114.39 16.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -104.5 163.3 12.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.598 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -163.84 141.59 5.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 160.12 40.62 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -128.37 138.74 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -168.92 164.37 11.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -171.82 168.0 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 111.051 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -161.12 149.18 15.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 110.303 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.11 158.46 30.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 120' ' ' SER . 6.3 tt0 -153.15 137.98 17.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.408 ' N ' ' HG2' ' A' ' 119' ' ' GLU . 9.2 p -178.21 162.19 1.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.052 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -140.91 110.74 0.68 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 177.07 9.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.03 143.11 13.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.9 p -165.65 169.06 15.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.035 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 110.953 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 p -168.93 -58.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.995 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.92 160.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.99 150.21 7.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.6 p -155.36 152.96 29.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.5 146.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.9 -115.56 0.33 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.535 1.147 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 66.23 164.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.61 164.13 13.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.44 -49.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 109.965 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.405 ' HB3' ' CG ' ' A' ' 102' ' ' GLU . . . -118.48 131.65 56.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.469 ' CG2' HG13 ' A' ' 13' ' ' ILE . 8.0 t -104.8 -32.21 8.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.472 ' CD1' HD22 ' A' ' 34' ' ' LEU . 19.6 mt -128.07 150.92 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -136.43 117.65 14.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.382 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.573 ' CE2' HD12 ' A' ' 66' ' ' LEU . 3.1 m-85 -101.95 169.05 9.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.967 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.6 p -130.02 105.25 7.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.955 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.465 ' CG1' HG23 ' A' ' 103' ' ' ILE . 12.3 p -149.0 146.3 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.412 ' N ' HG22 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -58.02 -160.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.363 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.57 -25.53 9.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.3 44.9 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.487 ' CG2' HD12 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -57.42 126.62 28.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.435 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -58.86 172.23 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -77.09 138.32 39.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.93 51.19 53.6 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.474 1.108 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.95 139.29 50.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 0.793 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.451 HD13 ' N ' ' A' ' 28' ' ' GLY . 7.7 tp -68.66 109.29 3.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.9 t -74.14 -50.76 26.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.533 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . -179.93 168.39 38.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -87.34 141.31 28.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.328 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.453 ' CD2' HG21 ' A' ' 90' ' ' VAL . 7.7 tp -116.93 -64.5 1.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.472 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -60.14 -27.81 67.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -89.45 -24.06 21.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -64.44 -68.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.472 HD22 ' CD1' ' A' ' 13' ' ' ILE . 4.4 mm? -62.78 -14.33 43.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.73 20.51 53.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ALA . 77.6 mt -79.25 168.98 18.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.16 142.93 34.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.475 ' O ' ' CD1' ' A' ' 42' ' ' ILE . 2.7 mm? -43.35 -52.89 5.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -49.35 -51.46 34.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.343 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.08 -45.79 79.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.472 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -66.39 -27.32 67.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.475 ' CD1' ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -78.81 -50.47 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.6 p -52.44 -48.4 65.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.405 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 45' ' ' GLY . 79.7 mtm-85 -85.48 9.68 15.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' ARG . . . 35.91 85.36 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.132 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.473 ' O ' ' CD2' ' A' ' 59' ' ' LEU . . . -95.24 127.36 41.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -133.57 154.56 50.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.469 HG13 ' CD2' ' A' ' 66' ' ' LEU . 23.9 mm -91.1 131.03 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -105.33 105.08 14.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.66 100.12 4.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.973 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.55 178.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.402 ' O ' ' CB ' ' A' ' 53' ' ' ASN . . . -124.61 146.66 16.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.1 t30 74.7 -68.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.94 63.56 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -45.4 151.83 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt -115.59 -47.18 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.461 ' CD2' HD23 ' A' ' 68' ' ' LEU . 18.0 mt -107.88 154.01 22.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -155.1 111.16 3.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 1.9 tp -82.14 129.19 34.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.6 OUTLIER -58.94 -50.75 72.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 1.6 mt-30 86.44 -15.95 0.44 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.39 -13.94 15.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.18 -35.65 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.73 38.62 7.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.127 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.442 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 20.4 m120 -133.09 160.98 35.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.573 HD12 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -94.79 116.79 29.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 58' ' ' GLN . 1.6 mm? -107.89 144.89 34.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.487 HD12 ' CG2' ' A' ' 21' ' ' THR . 20.8 mt -83.45 150.68 25.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -87.21 -42.12 13.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -162.29 -175.07 4.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -63.45 116.1 5.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.456 ' CD2' ' HB ' ' A' ' 21' ' ' THR . 0.3 OUTLIER -54.44 116.55 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.85 123.53 15.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -59.22 3.11 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -55.63 -59.41 4.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -40.2 -66.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.451 ' CD1' ' HB3' ' A' ' 72' ' ' LEU . 8.7 mt -60.08 -78.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.9 -70.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 108.299 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 141.96 -118.41 1.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 t -106.14 58.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.015 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.448 ' CG2' ' N ' ' A' ' 82' ' ' ASN . 6.0 m -117.9 170.74 8.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.471 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 15.4 p-10 -130.93 147.51 66.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.4 Cg_endo -74.89 -30.92 5.66 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.029 -0.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.2 t 67.95 64.3 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.308 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.4 mt -92.0 133.92 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.472 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -72.0 151.97 42.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -114.03 111.64 21.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.591 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.571 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.5 p90 -145.62 172.55 13.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -152.75 158.72 42.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.453 HG21 ' CD2' ' A' ' 30' ' ' LEU . 15.0 t -106.51 107.13 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.2 tp -78.02 136.31 37.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.5 mt -127.1 149.77 49.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.496 ' O ' ' C ' ' A' ' 94' ' ' SER . 21.9 mttm -103.05 173.76 6.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 93' ' ' LYS . 52.6 p -31.93 109.35 0.29 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.4 Cg_endo -74.97 123.5 9.14 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.051 -2.479 . . . . 0.0 110.995 -0.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.1 t -62.46 134.6 27.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -170.9 154.44 4.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -125.66 158.42 34.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.457 HG22 ' CG2' ' A' ' 12' ' ' THR . 4.1 mp -125.27 156.75 34.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.415 ' N ' HG21 ' A' ' 99' ' ' ILE . 6.1 mt-30 -110.86 89.18 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.335 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.571 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -93.8 163.63 25.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.405 ' CG ' ' HB3' ' A' ' 11' ' ' ALA . 29.7 mm-40 -135.21 156.92 48.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 0.778 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.472 ' HB ' ' CB ' ' A' ' 86' ' ' LEU . 14.1 mt -129.01 102.5 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -77.97 139.99 39.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.285 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 106' ' ' GLN . 3.2 tp -73.98 124.19 25.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -39.15 117.1 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.242 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -61.12 153.71 25.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.7 m -61.1 137.56 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 168.98 158.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -179.72 147.14 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.32 162.05 16.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.61 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.25 115.93 2.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 138.62 23.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.26 168.86 9.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.53 156.51 26.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.8 ttt -172.65 139.94 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.68 167.97 19.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.82 166.89 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.093 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -178.9 145.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.9 171.11 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -141.21 130.8 4.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.567 1.167 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 177.55 8.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.789 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.76 144.41 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.31 167.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.985 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.145 . . . . 0.0 111.033 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -174.04 170.99 3.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 110.007 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m 59.65 152.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.976 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.37 -119.27 3.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -151.76 -54.35 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 0.793 . . . . 0.0 110.026 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 58.71 169.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.992 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.43 -116.36 0.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 54.22 173.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.4 179.84 27.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.18 -62.04 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.992 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.468 ' CB ' ' HG3' ' A' ' 102' ' ' GLU . . . -116.83 129.85 56.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.466 HG23 ' CG2' ' A' ' 99' ' ' ILE . 6.9 t -107.36 -32.45 7.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.442 HD12 ' CD2' ' A' ' 34' ' ' LEU . 18.6 mt -129.51 151.55 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -136.1 119.66 17.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.389 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.437 ' CE2' ' CD1' ' A' ' 66' ' ' LEU . 4.2 m-85 -103.64 159.87 15.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 p -126.36 111.05 14.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.993 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.467 ' CG2' HG22 ' A' ' 21' ' ' THR . 2.7 p -136.93 132.01 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.03 -168.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -95.99 -16.51 21.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 20' ' ' GLU . 1.3 pt-20 -81.53 56.18 2.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.467 HG22 ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -111.35 143.64 41.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 24' ' ' GLY . 3.9 t0 -145.78 -178.85 6.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.6 ptt-85 -58.83 84.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 128.85 46.47 0.18 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.485 1.115 . . . . 0.0 111.049 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.443 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -120.3 136.01 54.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 110.01 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.431 HD11 ' CA ' ' A' ' 28' ' ' GLY . 1.9 tp -80.03 114.59 19.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.465 ' CG2' ' HG ' ' A' ' 68' ' ' LEU . 94.1 t -86.91 -36.92 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.431 ' CA ' HD11 ' A' ' 26' ' ' LEU . . . 158.78 166.52 18.0 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 10.3 p30 -91.34 143.93 26.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.415 ' CD1' ' OH ' ' A' ' 15' ' ' TYR . 8.4 tp -108.44 -23.77 11.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.473 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -83.67 -31.89 25.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -35.96 20.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.422 ' OD2' ' CE1' ' A' ' 15' ' ' TYR . 4.6 m-20 -50.93 -67.42 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.442 ' CD2' HD12 ' A' ' 13' ' ' ILE . 7.8 mt -62.75 -15.25 52.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.45 19.26 58.87 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ALA . 93.5 mt -86.03 178.34 7.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.777 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.96 158.95 21.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.947 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 63' ' ' SER . 1.4 mm? -47.0 -62.5 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -42.33 -53.71 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.7 -47.79 73.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.473 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -66.1 -24.28 66.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.435 ' CD1' HD12 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -79.95 -46.93 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.1 p -56.2 -51.26 68.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.376 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 mtm-85 -79.0 -4.22 48.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.241 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.45 81.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.495 ' O ' ' CD2' ' A' ' 59' ' ' LEU . . . -95.2 125.21 39.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.258 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -142.78 158.74 43.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.501 ' CG2' ' HB3' ' A' ' 57' ' ' LEU . 12.8 mm -91.94 125.83 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 mt -90.18 166.9 13.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.439 ' CB ' ' HB2' ' A' ' 55' ' ' GLN . 12.9 p -76.08 144.7 40.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -45.18 -39.43 6.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 165.73 -53.79 0.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -99.77 -30.17 12.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.87 157.98 43.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.439 ' HB2' ' CB ' ' A' ' 50' ' ' SER . 18.8 tt0 -106.48 136.7 45.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.49 ' CD1' ' N ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -131.76 20.21 4.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.501 ' HB3' ' CG2' ' A' ' 48' ' ' ILE . 11.3 mt -143.93 147.64 34.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -155.32 117.48 4.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -86.94 143.6 27.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.476 ' CA ' ' OE1' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -97.62 103.61 15.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.05 -7.19 33.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.11 -10.24 33.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.488 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -133.12 -65.45 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . 119.27 36.31 0.87 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -125.27 153.48 43.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.437 ' CD1' ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -88.46 117.1 27.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' GLN . 2.1 mm? -108.29 135.78 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 27' ' ' VAL . 3.3 mt -81.61 151.34 27.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.27 -38.73 50.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -171.91 -175.05 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -52.68 135.54 34.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -75.99 100.67 4.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -40.69 149.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' CYS . 56.9 mtt180 -100.71 -46.43 5.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -62.07 -55.29 30.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -50.16 -58.35 5.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.1 mt -69.55 -80.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 74' ' ' ARG . 1.6 p -169.19 -43.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 108.304 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.88 -43.57 1.84 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.09 46.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.039 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.443 ' O ' ' O ' ' A' ' 82' ' ' ASN . 0.4 OUTLIER -113.18 3.16 15.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.461 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 0.4 OUTLIER 58.77 152.57 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.1 Cg_endo -75.09 -22.54 13.87 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.991 -2.504 . . . . 0.0 110.968 0.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 62.13 60.67 1.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 108.292 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.2 mt -120.02 123.36 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.477 ' CD2' ' C ' ' A' ' 86' ' ' LEU . 0.4 OUTLIER -84.48 114.52 21.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -100.18 124.23 45.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.627 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.559 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 23.2 p90 -117.72 179.69 3.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -136.85 116.03 12.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.408 ' HB ' ' HB ' ' A' ' 99' ' ' ILE . 84.9 t -82.4 120.82 34.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.2 tp -91.71 133.7 35.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.257 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 31.2 mt -125.97 145.36 50.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.466 ' O ' ' C ' ' A' ' 94' ' ' SER . 10.7 mttp -98.78 175.08 6.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 24.7 p -34.17 111.09 0.39 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.489 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.4 Cg_endo -75.02 122.42 8.18 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.998 0.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.411 ' N ' ' HA ' ' A' ' 94' ' ' SER . 24.9 t -59.76 133.4 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.463 ' CG ' ' N ' ' A' ' 98' ' ' PHE . 48.0 tt0 -167.31 163.68 15.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.463 ' N ' ' CG ' ' A' ' 97' ' ' GLN . 15.4 m-85 -134.99 157.19 47.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.466 ' CG2' HG23 ' A' ' 12' ' ' THR . 3.5 mp -127.45 164.82 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.461 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 2.4 mt-30 -126.73 81.82 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.559 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -84.15 176.06 51.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.468 ' HG3' ' CB ' ' A' ' 11' ' ' ALA . 11.6 mt-10 -134.25 174.44 10.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.8 mt -145.63 107.25 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -91.86 134.69 34.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.01 122.26 32.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -54.3 154.75 4.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.07 108.96 19.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.3 t -89.89 149.61 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.5 t30 54.17 90.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 178.91 140.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.99 161.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.603 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.99 115.61 1.54 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 145.21 31.37 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.462 1.769 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -133.95 135.96 43.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -45.16 103.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.03 120.4 18.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.87 132.29 34.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -162.09 104.81 1.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -151.5 144.96 24.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.8 132.83 48.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -62.02 152.74 42.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 57.1 4.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.798 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.0 t -52.49 150.7 4.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.01 92.18 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 p -149.07 111.98 4.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 110.048 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.32 131.63 16.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.72 155.12 26.01 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.52 1.138 . . . . 0.0 111.047 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 t -115.46 -58.98 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 46.39 84.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.82 70.43 0.41 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.06 170.16 12.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.778 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.56 -57.95 5.04 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.65 147.8 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 0.792 . . . . 0.0 110.022 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.408 ' CB ' ' HG2' ' A' ' 102' ' ' GLU . . . -86.25 167.63 14.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.509 HG21 ' CG2' ' A' ' 99' ' ' ILE . 3.4 t -90.41 -34.02 15.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 mt -139.51 143.24 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.423 ' HB ' ' NE2' ' A' ' 104' ' ' GLN . 0.8 OUTLIER -136.97 118.95 15.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.345 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.563 ' CE2' ' HA3' ' A' ' 28' ' ' GLY . 4.7 m-85 -95.41 167.38 11.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 p -123.76 103.94 8.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 0.0 110.013 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.472 ' CG2' HG22 ' A' ' 21' ' ' THR . 11.7 p -155.38 145.86 12.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.415 ' N ' ' HB2' ' A' ' 106' ' ' GLN . 0.4 OUTLIER -58.59 -159.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.83 -24.84 8.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.257 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.95 28.08 8.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.472 HG22 ' CG2' ' A' ' 17' ' ' VAL . 2.3 m -48.01 131.61 15.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.155 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -60.55 156.85 15.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.416 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -71.17 125.77 27.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.36 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.07 38.4 6.82 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.437 ' CB ' HD13 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -109.03 144.85 36.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.017 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.466 HD12 ' CA ' ' A' ' 28' ' ' GLY . 1.3 tp -75.47 113.33 12.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.425 ' N ' HD13 ' A' ' 26' ' ' LEU . 45.1 t -82.19 -38.91 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.563 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 167.83 -173.54 42.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.403 ' C ' ' OH ' ' A' ' 15' ' ' TYR . 5.5 p30 -103.6 137.2 41.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.78 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.47 ' CD2' HG21 ' A' ' 90' ' ' VAL . 8.3 tp -104.29 -41.53 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.479 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -75.66 -46.63 30.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -15.29 62.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.55 -52.34 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.7 mt -87.85 13.28 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.29 23.92 60.61 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' ALA . 93.7 mt -85.36 173.1 10.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.34 146.92 36.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.414 ' O ' ' CD1' ' A' ' 42' ' ' ILE . 1.3 mm? -45.97 -58.59 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -41.59 -49.16 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -53.1 60.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.479 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -58.04 -26.02 61.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 1.178 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.461 ' CD1' ' O ' ' A' ' 61' ' ' GLN . 0.9 OUTLIER -76.81 -54.83 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.2 p -58.08 -50.06 74.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.402 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -68.42 -11.07 59.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 50.66 83.83 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.453 1.095 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.442 ' O ' ' CD2' ' A' ' 59' ' ' LEU . . . -96.56 124.72 40.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -130.46 156.93 43.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.0 mm -94.82 131.11 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.0 mt -113.78 106.23 14.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.6 m -136.55 122.96 20.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.42 -172.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.76 142.91 14.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 40.91 62.57 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.767 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.66 -68.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 60.25 112.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.44 ' CD2' HD12 ' A' ' 72' ' ' LEU . 5.2 mp -98.14 -11.25 23.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.481 HD13 ' CD2' ' A' ' 66' ' ' LEU . 25.8 mt -115.8 151.06 35.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -155.32 112.1 3.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.442 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 3.2 tp -87.52 119.43 27.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 2.2 mm-40 -49.89 -48.79 51.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.494 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 2.1 tt0 86.01 -11.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.255 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -104.6 -33.17 8.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.351 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -98.01 -28.19 13.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.94 53.3 4.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -147.02 169.43 19.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.529 HD12 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -99.97 121.09 40.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' GLN . 1.5 mm? -114.99 129.76 56.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.462 HD23 ' CD2' ' A' ' 57' ' ' LEU . 7.8 mt -72.03 135.97 46.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.565 1.165 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -65.88 -60.39 2.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.416 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 1.6 pt-20 -140.0 -175.09 4.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.8 ttpp -65.92 111.56 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.44 HD12 ' CD2' ' A' ' 56' ' ' LEU . 1.1 mm? -53.33 123.39 11.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -79.04 138.11 37.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 74' ' ' ARG . 2.9 mtm105 -68.59 -61.78 1.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 76' ' ' GLU . 26.1 tt0 -54.26 -54.89 33.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 75' ' ' GLU . 3.4 tt0 -39.09 -63.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.98 -75.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -139.59 -94.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 108.291 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 135.77 -54.16 0.75 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 0.0 111.045 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 86.3 p -153.19 62.54 0.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.959 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.505 ' CG2' ' N ' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -139.0 168.49 19.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.437 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.505 ' N ' ' CG2' ' A' ' 81' ' ' THR . 1.6 t30 -154.05 141.78 13.82 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.2 Cg_endo -75.06 161.19 95.31 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.971 0.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.07 57.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 108.307 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.506 ' O ' ' CE1' ' A' ' 87' ' ' HIS . 36.2 mt -87.35 138.44 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.415 ' N ' HG23 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -77.4 153.79 33.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.506 ' CE1' ' O ' ' A' ' 85' ' ' ILE . 0.8 OUTLIER -115.39 111.8 21.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.649 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.583 ' CE1' ' O ' ' A' ' 101' ' ' GLY . 18.7 p90 -140.73 174.55 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -154.24 137.42 15.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.47 HG21 ' CD2' ' A' ' 30' ' ' LEU . 40.5 t -90.08 109.33 20.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.417 HD12 ' CZ ' ' A' ' 98' ' ' PHE . 5.5 tp -86.49 137.73 32.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.8 mt -131.19 150.58 52.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.48 ' O ' ' C ' ' A' ' 94' ' ' SER . 17.5 mttt -100.23 176.52 5.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 93' ' ' LYS . 42.2 p -33.02 109.92 0.33 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.0 122.43 8.19 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.989 -2.505 . . . . 0.0 111.022 0.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.5 t -62.14 128.85 24.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -163.04 158.23 21.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.417 ' CZ ' HD12 ' A' ' 91' ' ' LEU . 48.2 m-85 -133.31 157.93 44.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.509 ' CG2' HG21 ' A' ' 12' ' ' THR . 3.8 mp -125.11 164.77 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.484 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 9.2 mt-30 -124.54 79.44 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.583 ' O ' ' CE1' ' A' ' 88' ' ' PHE . . . -99.38 145.47 17.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 85' ' ' ILE . 43.8 mm-40 -109.82 170.26 8.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.46 ' CG2' HG12 ' A' ' 17' ' ' VAL . 9.9 mt -129.02 111.51 23.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 15' ' ' TYR . 78.7 mt-30 -73.59 134.91 43.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.4 tp -80.53 126.35 31.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.415 ' HB2' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -60.65 121.36 12.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -112.59 141.11 46.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.0 p -42.28 144.75 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -167.66 101.01 0.48 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -177.99 131.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.87 117.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.61 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -170.15 114.61 0.48 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.72 19.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.461 1.769 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.29 119.86 40.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -175.69 98.98 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.06 110.42 22.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 179.08 168.48 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -71.35 177.07 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -144.29 165.53 27.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 94.6 p -89.91 139.3 30.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.15 146.16 26.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.494 1.122 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -175.55 2.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 52.1 p -141.84 128.82 20.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.981 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.3 t -147.76 108.46 4.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.974 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 t -173.89 91.28 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 0.786 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -150.32 143.25 24.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.958 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.72 142.55 8.48 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.67 128.31 20.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 0.735 . . . . 0.0 110.001 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.56 109.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.14 107.3 0.84 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.62 136.73 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 0.769 . . . . 0.0 109.237 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.08 -96.93 2.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.145 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.66 170.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.996 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -47.81 129.28 14.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.469 HG21 ' CG2' ' A' ' 99' ' ' ILE . 6.0 t -103.03 -29.2 11.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.371 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.452 HG13 ' CG2' ' A' ' 12' ' ' THR . 10.3 mt -134.97 150.75 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -135.99 117.91 15.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.393 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.527 ' CZ ' HD11 ' A' ' 66' ' ' LEU . 6.3 m-85 -98.77 168.35 10.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.1 p -131.94 118.69 20.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.557 ' CG2' ' CG2' ' A' ' 21' ' ' THR . 9.0 p -145.67 134.75 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.3 -166.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -108.55 -21.38 12.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -99.88 51.64 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.557 ' CG2' ' CG2' ' A' ' 17' ' ' VAL . 0.7 OUTLIER -65.61 156.35 33.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.426 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.27 -175.97 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.2 mtt85 -78.37 88.28 4.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.12 34.45 1.64 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 111.067 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.96 133.28 34.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.43 HD11 ' N ' ' A' ' 28' ' ' GLY . 3.2 tp -69.11 111.6 5.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.46 HG11 ' CD2' ' A' ' 15' ' ' TYR . 47.1 t -83.11 -36.81 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.43 ' N ' HD11 ' A' ' 26' ' ' LEU . . . 160.4 -175.49 37.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 1.3 m-80 -98.93 141.78 31.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.458 ' CD2' HD12 ' A' ' 48' ' ' ILE . 12.9 tp -107.57 -56.5 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.476 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -59.95 -48.02 83.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -67.38 -35.27 78.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.414 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -49.92 -51.53 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 mt -90.13 20.08 4.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.37 26.55 9.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' ALA . 88.3 mt -86.03 177.63 7.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 t -112.16 144.86 40.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -42.37 -63.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -41.13 -55.26 2.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -51.26 -46.21 62.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -65.91 -22.54 66.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -85.17 -51.47 13.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.3 p -50.59 -48.44 57.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.38 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 45' ' ' GLY . 53.0 mtm-85 -85.23 11.05 10.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' ARG . . . 36.55 82.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.8 126.4 37.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -130.87 165.63 22.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.493 ' CG2' ' HB3' ' A' ' 57' ' ' LEU . 24.5 mm -98.07 137.88 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.7 mt -122.47 107.81 12.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.23 122.44 33.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.982 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.78 -76.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.32 -115.92 0.58 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.26 -51.44 44.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -96.11 118.4 32.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -107.7 134.95 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mp -95.88 13.29 27.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.493 ' HB3' ' CG2' ' A' ' 48' ' ' ILE . 9.8 mt -133.84 151.54 51.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.09 123.74 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.0 tp -84.25 119.19 24.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 2.3 tt0 -42.35 -61.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.504 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.7 OUTLIER 86.9 -43.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.79 2.15 24.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 m -145.66 -46.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.92 53.98 0.83 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -137.35 151.99 49.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.362 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.527 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -92.74 102.8 15.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.416 ' N ' HD21 ' A' ' 67' ' ' LEU . 1.6 mm? -100.25 147.45 25.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.471 ' CD2' HD22 ' A' ' 57' ' ' LEU . 12.6 mt -79.4 136.32 36.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.443 ' CD ' ' HG2' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -51.62 -44.18 62.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.443 ' HG2' ' CD ' ' A' ' 69' ' ' LYS . 4.9 pt-20 -176.03 -174.56 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -49.59 127.69 16.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.428 ' HB3' ' CD1' ' A' ' 77' ' ' LEU . 0.7 OUTLIER -85.34 138.39 32.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.0 83.63 6.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 78' ' ' CYS . 25.7 mtm180 -39.24 -53.68 1.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -56.35 -63.34 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -42.91 -61.15 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.275 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 72' ' ' LEU . 6.2 mt -62.4 -77.54 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' ARG . 5.2 p -172.01 100.72 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 108.296 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.55 105.91 0.67 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.5 t 41.04 86.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.74 . . . . 0.0 110.054 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.441 ' CG2' ' N ' ' A' ' 82' ' ' ASN . 3.6 m -133.32 170.45 15.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.468 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 1.6 m-20 -141.43 144.19 32.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.6 Cg_endo -74.95 -17.47 19.89 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.028 -0.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.2 t 56.25 92.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 108.322 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.456 ' O ' ' CD2' ' A' ' 87' ' ' HIS . 72.8 mt -121.93 129.96 74.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.46 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -72.31 152.59 42.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -115.13 116.0 27.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.579 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.409 ' O ' ' HG3' ' A' ' 89' ' ' GLN . 12.7 p90 -147.42 163.33 36.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 88' ' ' PHE . 8.5 mt-30 -141.88 137.74 31.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.0 t -86.21 113.63 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.481 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 11.2 tp -88.51 134.92 33.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.9 mt -125.72 146.63 49.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 94' ' ' SER . 13.1 mttt -97.47 175.29 6.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 93' ' ' LYS . 24.7 p -34.97 111.9 0.43 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.3 Cg_endo -75.01 122.61 8.34 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.979 -0.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.409 ' N ' ' HA ' ' A' ' 94' ' ' SER . 24.1 t -57.63 130.71 20.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.135 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 98' ' ' PHE . 46.6 tt0 -159.25 152.01 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.481 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 51.1 m-85 -129.35 158.49 38.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.469 ' CG2' HG21 ' A' ' 12' ' ' THR . 4.7 mp -134.09 164.83 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.461 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 6.0 mt-30 -127.95 85.05 2.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -87.51 -170.44 46.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -148.35 162.08 40.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.74 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.463 ' CG2' HG12 ' A' ' 17' ' ' VAL . 9.3 mt -131.6 101.94 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -89.47 150.48 22.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.333 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.59 142.13 28.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -49.64 145.04 5.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.22 153.36 20.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.1 t -93.21 117.15 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -178.11 -58.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.57 106.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -169.63 65.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.592 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -112.17 118.21 46.37 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -179.32 4.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.3 145.28 45.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.361 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -159.6 87.19 0.81 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.3 ttt -137.03 15.61 3.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.75 134.93 35.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.27 92.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -170.43 169.15 7.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.42 155.56 0.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.945 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -153.6 162.03 30.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.49 12.69 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.464 1.771 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.5 m -110.11 164.24 12.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.1 p -151.71 165.63 33.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.6 t -158.26 -58.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.974 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.58 156.05 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.69 116.26 1.97 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.41 165.01 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 0.0 110.02 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.53 107.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.038 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.73 88.36 0.08 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -154.22 138.29 16.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 148.34 132.15 2.14 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.79 -60.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 109.981 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -118.08 130.61 56.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.487 HG21 ' CG2' ' A' ' 99' ' ' ILE . 2.8 t -98.14 -33.3 11.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.412 HD12 ' CD2' ' A' ' 34' ' ' LEU . 14.9 mt -134.37 151.62 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -135.78 124.83 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.535 ' CD2' HG12 ' A' ' 27' ' ' VAL . 8.9 m-85 -107.35 166.48 10.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.9 p -132.39 113.4 13.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.96 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.601 ' CG2' ' CG2' ' A' ' 21' ' ' THR . 7.1 p -135.79 135.91 50.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.34 -168.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.89 -22.46 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -101.71 55.99 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.601 ' CG2' ' CG2' ' A' ' 17' ' ' VAL . 0.7 OUTLIER -68.46 156.81 37.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.374 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.11 167.58 14.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' HD3' ' CB ' ' A' ' 70' ' ' GLU . 5.9 mtt85 -58.12 103.25 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.91 36.76 5.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.51 134.83 35.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.785 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 tp -68.92 112.82 5.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.535 HG12 ' CD2' ' A' ' 15' ' ' TYR . 34.8 t -86.0 -37.58 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 162.58 -165.29 36.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.418 ' O ' ' OH ' ' A' ' 15' ' ' TYR . 8.9 m-20 -108.83 143.84 37.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.48 HD21 ' CG2' ' A' ' 90' ' ' VAL . 13.2 tp -111.28 -42.87 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.533 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -82.74 -41.75 18.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -73.78 -15.2 61.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.406 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -66.73 -76.27 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.412 ' CD2' HD12 ' A' ' 13' ' ' ILE . 4.5 mm? -62.63 -14.59 45.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.09 16.45 53.97 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.3 mt -73.97 166.78 22.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.7 m -103.19 151.27 22.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 39' ' ' ARG . 2.6 mm? -49.98 -57.61 7.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -36.98 -52.91 0.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.63 -52.47 65.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.533 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -55.37 -25.63 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -83.6 -60.43 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.4 p -55.65 -39.23 70.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -80.41 4.17 18.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 39.12 73.68 0.16 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.67 124.17 38.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -132.96 169.3 16.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.461 ' CG2' ' HB3' ' A' ' 57' ' ' LEU . 18.2 mm -101.1 137.86 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.7 mt -117.93 106.81 13.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.4 t -136.65 117.44 14.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.02 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.24 154.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -89.03 143.51 17.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.47 -61.39 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 0.723 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.53 156.42 18.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.32 139.2 46.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.407 ' HA ' ' CB ' ' A' ' 69' ' ' LYS . 1.0 OUTLIER -119.0 18.82 13.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.461 ' HB3' ' CG2' ' A' ' 48' ' ' ILE . 12.2 mt -148.57 145.97 28.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.05 110.4 3.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.274 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.57 137.82 31.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -98.18 111.94 24.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.263 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.4 -0.07 21.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -13.48 57.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.38 -52.67 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.74 57.71 0.4 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -138.0 152.29 48.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.522 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -95.04 107.23 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -103.04 155.76 18.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.253 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 mt -88.15 142.46 27.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.407 ' CB ' ' HA ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -53.03 -62.85 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.449 ' CB ' ' HD3' ' A' ' 23' ' ' ARG . 2.9 pt-20 -157.2 -173.98 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -48.82 123.9 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.455 ' HB3' ' CD1' ' A' ' 77' ' ' LEU . 1.1 mm? -77.29 156.28 31.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -96.35 115.47 27.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 78' ' ' CYS . 0.9 OUTLIER -59.59 -60.98 2.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 76' ' ' GLU . 7.2 mm-40 -55.55 -62.34 1.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 75' ' ' GLU . 3.5 tt0 -38.65 -61.48 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 72' ' ' LEU . 5.2 mt -67.17 -76.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.43 ' N ' ' O ' ' A' ' 74' ' ' ARG . 1.2 p -163.63 -63.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 108.278 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 124.61 -79.53 0.36 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.563 1.164 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.07 55.37 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 110.008 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 82' ' ' ASN . 19.0 m -114.18 171.18 7.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.469 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 18.8 p30 -132.02 151.24 78.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.4 Cg_endo -75.03 -30.46 6.01 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.007 0.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t 66.2 87.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.283 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 68.2 mt -119.45 134.6 62.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.464 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -74.0 153.13 39.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -113.84 114.19 25.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.621 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.413 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 8.6 p90 -146.66 171.5 15.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 99' ' ' ILE . 2.7 mp0 -154.81 136.31 14.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.48 ' CG2' HD21 ' A' ' 30' ' ' LEU . 15.6 t -85.49 113.5 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 tp -88.21 136.89 32.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.6 mt -125.63 147.78 49.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 94' ' ' SER . 34.6 mttt -100.79 173.15 6.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 93' ' ' LYS . 39.0 p -33.98 110.89 0.38 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.004 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.05 122.74 8.45 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.978 0.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.403 ' N ' ' HA ' ' A' ' 94' ' ' SER . 25.0 t -57.38 140.1 16.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -168.47 146.08 4.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -125.7 154.05 42.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.487 ' CG2' HG21 ' A' ' 12' ' ' THR . 4.2 mp -128.96 165.21 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.484 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 5.2 mt-30 -132.64 86.35 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.345 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.413 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -89.92 -174.42 45.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -140.79 155.31 46.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 110.332 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.466 ' CG2' HG12 ' A' ' 17' ' ' VAL . 8.9 mt -125.82 103.1 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -89.91 154.05 20.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 tp -91.27 133.38 35.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.2 131.12 1.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.01 163.08 12.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.1 t -95.45 116.65 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 60.15 98.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -70.71 132.28 45.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -45.21 111.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.631 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.59 138.98 1.18 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.348 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 131.14 13.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.79 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 115' ' ' PHE . 0.9 OUTLIER -68.42 138.73 55.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 114' ' ' GLU . 0.4 OUTLIER -37.6 156.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.04 13.63 24.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.09 146.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.083 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -137.52 142.8 41.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -98.25 147.55 24.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.275 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.99 166.84 31.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -116.98 143.37 18.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 178.39 7.33 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.22 162.47 19.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.9 p -88.08 159.11 18.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 m 58.75 86.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 110.0 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.82 157.32 46.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.44 148.55 5.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.83 157.03 6.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.752 . . . . 0.0 110.026 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.71 158.88 40.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.049 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.2 167.28 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.92 -57.94 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.8 -179.15 6.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.15 174.68 0.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 0.744 . . . . 0.0 110.054 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.25 130.65 34.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.479 HG21 ' CG2' ' A' ' 99' ' ' ILE . 4.2 t -99.09 -33.18 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.442 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.471 HG13 ' CG2' ' A' ' 12' ' ' THR . 5.1 mt -133.37 143.51 38.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 p -137.27 115.03 11.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.582 ' CE2' ' CD1' ' A' ' 66' ' ' LEU . 3.5 m-85 -97.86 169.06 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.7 p -128.54 115.79 18.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.005 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.461 ' CG2' HG23 ' A' ' 21' ' ' THR . 8.4 p -151.62 155.94 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.83 -174.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -100.72 -13.35 18.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -122.46 38.12 4.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.48 ' CG2' ' CD1' ' A' ' 68' ' ' LEU . 1.7 m -55.22 128.96 36.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.17 174.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -80.32 125.45 29.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.6 48.44 6.7 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.488 1.118 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.465 ' CB ' HG21 ' A' ' 21' ' ' THR . 0.1 OUTLIER -108.45 138.74 44.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 109.987 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.473 HD11 ' CA ' ' A' ' 28' ' ' GLY . 3.6 tp -70.53 111.32 5.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.3 t -80.5 -33.28 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.473 ' CA ' HD11 ' A' ' 26' ' ' LEU . . . 157.65 168.29 19.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.408 ' C ' ' OH ' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -93.1 139.77 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.438 HD21 ' CG2' ' A' ' 90' ' ' VAL . 7.8 tp -104.4 -54.51 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.459 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -60.41 -31.91 70.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -81.44 -34.41 31.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.12 -68.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' A' ' 13' ' ' ILE . 4.3 mm? -62.78 -16.15 56.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.37 10.78 70.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' ALA . 27.3 mt -74.02 163.69 27.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.8 m -99.25 142.78 30.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.588 1.18 . . . . 0.0 110.048 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -41.23 -58.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -39.61 -54.88 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -54.59 -53.55 53.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 0.0 110.295 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.459 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -57.01 -47.08 81.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mt -55.41 -58.88 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.1 p -52.89 -53.15 53.34 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 -64.17 -15.66 60.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.18 76.31 0.2 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.463 ' O ' ' CD2' ' A' ' 59' ' ' LEU . . . -94.03 125.42 38.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.426 ' CG ' ' HB3' ' A' ' 91' ' ' LEU . 8.2 pt20 -129.24 158.23 39.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.4 mm -92.77 130.71 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.0 mt -99.9 105.17 16.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.47 107.91 6.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.966 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.0 mttm 65.23 173.29 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -81.16 -90.41 0.55 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -76.38 -33.69 58.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -80.86 139.48 35.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.98 136.04 54.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mt -111.4 -34.65 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.478 ' CD2' HD22 ' A' ' 68' ' ' LEU . 20.3 mt -117.74 160.18 21.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.37 103.35 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 15.1 tp -78.69 99.5 6.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.456 ' HG2' ' CD2' ' A' ' 67' ' ' LEU . 15.4 pt-20 -48.54 -38.26 19.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 46' ' ' ALA . 1.2 tt0 74.38 3.33 4.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -81.72 -45.56 15.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.0 5.02 8.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.028 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.16 47.37 59.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.405 ' ND2' HD22 ' A' ' 26' ' ' LEU . 13.3 m-20 -119.41 149.98 40.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.582 ' CD1' ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -92.3 119.08 31.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.456 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 2.2 mm? -111.65 140.07 46.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.48 ' CD1' ' CG2' ' A' ' 21' ' ' THR . 12.4 mt -81.58 143.45 31.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -42.81 57.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -162.72 -175.6 4.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.65 116.06 3.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.422 ' HB3' ' CD1' ' A' ' 77' ' ' LEU . 1.5 mm? -60.81 147.41 42.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.98 139.28 37.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -68.26 -73.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.444 ' HA ' ' CA ' ' A' ' 79' ' ' GLY . 19.5 tt0 -42.79 -57.89 2.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -38.93 -68.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 72' ' ' LEU . 3.6 mt -65.74 -74.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 6.9 p -154.36 91.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.444 ' CA ' ' HA ' ' A' ' 75' ' ' GLU . . . -41.41 -45.18 4.22 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.19 69.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 0.734 . . . . 0.0 110.013 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.411 HG21 ' N ' ' A' ' 82' ' ' ASN . 2.9 m -128.21 159.79 34.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.408 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.469 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 2.7 t30 -136.91 140.85 32.86 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.3 Cg_endo -74.97 142.6 75.25 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.025 -2.49 . . . . 0.0 111.013 -0.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.61 97.95 10.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 108.332 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.9 mt -135.24 138.55 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.47 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -71.71 149.3 45.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -107.21 110.66 22.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.577 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.581 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 4.2 p90 -148.81 169.22 20.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -150.9 163.66 38.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.438 ' CG2' HD21 ' A' ' 30' ' ' LEU . 42.1 t -109.72 115.02 48.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.426 ' HB3' ' CG ' ' A' ' 47' ' ' GLN . 8.4 tp -86.6 134.81 33.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.5 mt -124.82 146.83 49.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 94' ' ' SER . 0.4 OUTLIER -99.27 175.19 5.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.351 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 93' ' ' LYS . 35.5 p -34.88 111.53 0.42 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.02 122.77 8.47 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.99 0.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.406 ' N ' ' HA ' ' A' ' 94' ' ' SER . 21.1 t -57.31 132.67 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.403 ' HG2' ' N ' ' A' ' 98' ' ' PHE . 52.5 tt0 -163.08 159.29 23.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.403 ' N ' ' HG2' ' A' ' 97' ' ' GLN . 90.9 m-85 -137.01 155.52 49.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.479 ' CG2' HG21 ' A' ' 12' ' ' THR . 3.8 mp -125.38 164.67 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.472 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 21.5 mt-30 -118.55 78.9 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.581 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -80.48 164.69 47.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -137.07 153.86 50.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.497 HG13 ' CD2' ' A' ' 88' ' ' PHE . 11.2 mt -125.91 101.48 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 15' ' ' TYR . 4.6 mt-30 -77.07 120.54 22.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.431 ' N ' HD21 ' A' ' 105' ' ' LEU . 4.6 mm? -74.43 138.12 43.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -55.2 117.73 3.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -78.47 146.41 34.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.2 t -86.65 106.03 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -146.61 165.76 28.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.6 p-10 -72.72 90.53 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -78.8 140.23 38.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.605 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -143.7 148.54 43.41 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 160.9 39.69 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -123.22 158.2 31.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.482 ' CD2' ' O ' ' A' ' 116' ' ' MET . 32.8 p90 -109.91 -13.04 14.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.482 ' O ' ' CD2' ' A' ' 115' ' ' PHE . 0.3 OUTLIER 60.39 149.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -136.76 144.39 43.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.49 153.11 31.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.99 170.4 15.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.9 p -148.33 163.26 37.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -147.88 154.03 25.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -176.42 2.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.91 166.07 24.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.108 . . . . 0.0 109.978 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.85 164.18 12.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.978 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . 1.036 HG23 HG13 ' A' ' 13' ' ' ILE . 5.3 t -108.84 -32.35 7.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.407 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 1.036 HG13 HG23 ' A' ' 12' ' ' THR . 9.6 mt -127.81 147.72 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 p -136.28 116.87 13.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 110.431 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.839 ' HD2' HG12 ' A' ' 27' ' ' VAL . 4.4 m-85 -97.23 168.59 10.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.4 p -126.71 122.08 33.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.99 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.61 140.88 29.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.983 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.751 HD22 ' ND2' ' A' ' 65' ' ' ASN . 2.2 tp -73.67 112.9 10.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.839 HG12 ' HD2' ' A' ' 15' ' ' TYR . 79.6 t -75.2 -45.82 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.508 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 174.74 -179.65 45.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' A' ' 64' ' ' GLY . 42.5 m-80 -97.92 140.72 31.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.757 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.641 HD21 ' CG2' ' A' ' 90' ' ' VAL . 9.1 tp -110.47 -50.25 2.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.483 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -69.26 -31.51 70.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.7 -24.09 25.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.405 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -62.53 -63.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.803 HD21 HD11 ' A' ' 13' ' ' ILE . 12.9 mt -67.03 -11.31 56.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.63 11.25 80.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 mt -79.45 175.04 10.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 0.793 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.5 t -105.99 147.37 28.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.947 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.802 ' O ' HD12 ' A' ' 42' ' ' ILE . 3.4 mm? -44.09 -51.23 8.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.88 ' O ' HG23 ' A' ' 43' ' ' THR . 0.0 OUTLIER -46.99 -55.58 7.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.259 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -54.04 -40.72 67.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.862 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -70.8 -30.9 67.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.802 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -76.11 -54.74 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.88 HG23 ' O ' ' A' ' 39' ' ' ARG . 68.7 p -49.55 -48.61 48.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.374 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -87.12 13.63 9.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 36.41 89.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.862 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -98.77 119.76 38.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.57 172.27 11.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.664 HG21 ' CB ' ' A' ' 57' ' ' LEU . 16.0 mm -102.99 132.44 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.361 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.664 ' CB ' HG21 ' A' ' 48' ' ' ILE . 75.4 mt -147.01 153.62 40.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -154.75 103.17 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.659 HD23 ' O ' ' A' ' 46' ' ' ALA . 22.8 tp -78.56 107.18 11.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.452 ' HG2' ' CD2' ' A' ' 67' ' ' LEU . 7.6 pt-20 -52.53 -33.68 46.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 46' ' ' ALA . 23.0 mt-30 66.8 26.1 9.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -106.33 -48.03 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.432 ' C ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -123.89 0.12 8.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 29' ' ' ASN . . . 75.38 57.52 4.24 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.751 ' ND2' HD22 ' A' ' 26' ' ' LEU . 30.7 m-20 -130.35 131.92 45.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.787 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.802 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -78.97 122.89 26.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.684 HD22 ' O ' ' A' ' 65' ' ' ASN . 1.7 mm? -110.25 139.42 45.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.646 HD23 HD23 ' A' ' 57' ' ' LEU . 79.1 mt -80.92 144.42 31.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.62 -60.87 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.34 -175.66 4.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -74.78 116.38 15.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.543 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.435 HG23 ' O ' ' A' ' 103' ' ' ILE . 88.5 mt -125.73 134.97 65.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.5 HD22 HD12 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -71.91 150.25 44.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -110.13 112.41 24.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.604 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.546 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 4.5 p90 -148.53 172.1 15.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -153.6 143.47 21.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.641 ' CG2' HD21 ' A' ' 30' ' ' LEU . 98.7 t -88.61 116.83 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.555 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 5.3 tp -93.13 136.89 32.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 97' ' ' GLN . 70.9 mt -127.46 146.82 50.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 94' ' ' SER . 13.1 mttt -97.37 175.43 6.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 93' ' ' LYS . 42.3 p -35.12 111.66 0.44 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.035 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.1 Cg_endo -75.11 122.65 8.39 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.967 0.121 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 24.0 t -56.67 126.83 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.564 ' HB3' HD12 ' A' ' 92' ' ' LEU . 3.8 tm0? -152.97 153.44 32.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.572 ' C ' HD12 ' A' ' 99' ' ' ILE . 72.4 m-85 -135.93 148.5 48.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.928 HG23 HG21 ' A' ' 12' ' ' THR . 3.8 mp -124.16 159.75 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.699 ' O ' HG22 ' A' ' 12' ' ' THR . 8.5 mt-30 -113.47 81.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.546 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -81.7 -177.74 51.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -155.87 155.85 33.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.756 . . . . 0.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.5 HD12 HD22 ' A' ' 86' ' ' LEU . 10.2 mt -123.26 109.86 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -90.97 144.3 25.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 84' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.95 HG21 HG23 ' A' ' 99' ' ' ILE . 3.6 t -97.36 -32.75 11.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.408 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.869 HG13 HG23 ' A' ' 12' ' ' THR . 9.0 mt -135.44 149.87 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.6 p -135.54 116.88 14.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.348 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.857 ' HD2' HG12 ' A' ' 27' ' ' VAL . 4.2 m-85 -96.87 162.16 13.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.6 p -131.12 106.4 8.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.655 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -123.54 137.67 54.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 110.004 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 27' ' ' VAL . 2.3 tp -81.28 112.7 18.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.857 HG12 ' HD2' ' A' ' 15' ' ' TYR . 56.5 t -77.14 -42.7 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.451 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 169.18 179.65 41.29 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -93.03 139.26 30.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.809 HD21 HG22 ' A' ' 90' ' ' VAL . 9.9 tp -107.94 -63.28 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.61 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -61.58 -36.44 80.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.16 -20.15 52.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.464 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -70.96 -47.68 57.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.79 HD21 HD11 ' A' ' 13' ' ' ILE . 37.8 mt -89.12 12.9 14.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.69 14.44 29.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.61 HD22 ' NH2' ' A' ' 44' ' ' ARG . 40.4 mt -77.01 168.53 19.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -105.84 149.04 26.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.032 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.919 HD21 ' O ' ' A' ' 63' ' ' SER . 1.5 mm? -48.11 -60.32 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -41.98 -47.55 4.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -48.79 80.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.255 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.802 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -63.66 -26.54 68.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.746 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.1 mp -79.39 -52.85 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.9 p -54.98 -46.17 75.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.433 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.61 ' NH2' HD22 ' A' ' 36' ' ' LEU . 25.6 mtm180 -83.09 5.61 21.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 44' ' ' ARG . . . 40.7 93.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.864 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -101.58 132.52 47.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.488 ' CD ' HD23 ' A' ' 91' ' ' LEU . 9.2 pt20 -138.82 163.52 32.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.649 HG21 ' HB3' ' A' ' 57' ' ' LEU . 20.3 mm -98.75 131.51 45.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 88' ' ' PHE . 16.6 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.649 ' HB3' HG21 ' A' ' 48' ' ' ILE . 18.9 mt -120.78 158.16 28.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -154.77 114.08 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.864 HD23 ' O ' ' A' ' 46' ' ' ALA . 4.9 tp -80.59 113.54 18.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -39.99 -55.56 2.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.63 ' O ' HD12 ' A' ' 38' ' ' LEU . 1.9 tt0 86.09 -47.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -73.56 -18.86 61.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.919 ' O ' HD21 ' A' ' 38' ' ' LEU . 1.6 m -116.18 -47.93 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.948 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.513 ' CA ' HD11 ' A' ' 38' ' ' LEU . . . 103.11 42.66 2.03 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.039 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.459 ' O ' HD22 ' A' ' 67' ' ' LEU . 48.1 m-20 -130.59 156.42 44.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.777 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.482 ' CD2' HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -91.1 108.58 19.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.477 ' CD2' ' HB2' ' A' ' 60' ' ' GLU . 2.4 mm? -102.54 149.48 24.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.655 HD12 ' HB3' ' A' ' 25' ' ' SER . 3.6 mt -89.55 168.44 12.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.8 -54.28 3.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -153.62 175.08 13.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -50.59 133.93 24.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.611 HD22 ' H ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.473 HG23 ' H ' ' A' ' 103' ' ' ILE . 83.5 mt -106.84 131.59 56.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.597 HD23 ' N ' ' A' ' 87' ' ' HIS . 2.4 tt -73.32 151.01 41.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.597 ' N ' HD23 ' A' ' 86' ' ' LEU . 1.4 p80 -110.87 113.42 25.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.547 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 49' ' ' LEU . 11.1 p90 -143.19 171.42 14.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.28 138.67 17.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.809 HG22 HD21 ' A' ' 30' ' ' LEU . 11.4 t -87.93 113.89 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.834 HD13 ' CE2' ' A' ' 98' ' ' PHE . 9.8 tp -91.33 135.68 33.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.48 ' N ' HD12 ' A' ' 91' ' ' LEU . 97.7 mt -128.42 147.48 50.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 94' ' ' SER . 10.1 mttm -99.26 175.35 5.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.488 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 87.2 p -33.34 110.3 0.35 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.488 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.3 Cg_endo -75.03 122.98 8.64 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.965 -2.515 . . . . 0.0 110.978 -0.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 16.6 t -60.28 137.97 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -170.52 145.17 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.338 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.834 ' CE2' HD13 ' A' ' 91' ' ' LEU . 87.5 m-85 -123.95 158.84 31.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.95 HG23 HG21 ' A' ' 12' ' ' THR . 4.4 mp -131.41 165.48 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.51 ' O ' HG22 ' A' ' 12' ' ' THR . 5.5 mt-30 -131.85 80.49 1.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.16 -168.41 44.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -147.47 161.49 40.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 110.267 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.473 ' H ' HG23 ' A' ' 85' ' ' ILE . 5.4 mt -130.6 105.25 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -92.11 140.05 30.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.981 HG23 HG13 ' A' ' 13' ' ' ILE . 5.9 t -102.46 -32.04 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.981 HG13 HG23 ' A' ' 12' ' ' THR . 14.0 mt -128.89 150.23 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -135.75 117.03 14.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.806 ' HD2' HG12 ' A' ' 27' ' ' VAL . 2.9 m-85 -101.53 163.86 12.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.8 p -122.0 115.42 22.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.558 HG12 HG23 ' A' ' 103' ' ' ILE . 5.4 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.6 147.25 25.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.856 HD22 ' ND2' ' A' ' 65' ' ' ASN . 1.3 tp -79.64 113.67 17.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.806 HG12 ' HD2' ' A' ' 15' ' ' TYR . 39.4 t -73.27 -47.96 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.528 ' CA ' ' CE2' ' A' ' 15' ' ' TYR . . . 175.46 174.8 42.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.4 ' OD1' ' OD1' ' A' ' 65' ' ' ASN . 26.8 m-20 -89.16 130.53 35.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 0.76 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.92 HD13 HD11 ' A' ' 66' ' ' LEU . 1.1 tp -101.82 -61.67 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.468 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -52.27 -42.46 63.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -40.94 65.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -45.23 -62.24 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.826 HD21 HD11 ' A' ' 13' ' ' ILE . 11.7 mt -69.67 -23.34 63.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.97 16.64 53.94 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.427 1.079 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 77.8 mt -84.87 144.49 28.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 0.725 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 m -73.96 143.91 45.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.615 ' O ' HD12 ' A' ' 42' ' ' ILE . 1.2 mm? -40.99 -59.93 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.851 ' O ' HG23 ' A' ' 43' ' ' THR . 2.9 ttp180 -38.41 -54.76 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.69 -53.52 46.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.869 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -58.73 -25.11 62.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.615 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -81.15 -55.62 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.851 HG23 ' O ' ' A' ' 39' ' ' ARG . 44.4 p -53.56 -44.93 69.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' GLY . 54.0 mtp180 -83.75 6.8 19.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.246 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 44' ' ' ARG . . . 36.78 91.8 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.869 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -101.34 127.62 47.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.616 ' HG3' HD23 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -135.7 159.37 41.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.614 HG21 ' CB ' ' A' ' 57' ' ' LEU . 12.7 mm -94.26 129.92 43.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 49' ' ' LEU . 13.2 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.526 HD23 HD12 ' A' ' 72' ' ' LEU . 4.4 mp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.682 HD23 HD23 ' A' ' 68' ' ' LEU . 93.1 mt -147.86 154.96 41.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -155.12 107.24 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 46' ' ' ALA . 29.5 tp -79.56 98.28 6.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.485 ' HG2' ' CD2' ' A' ' 67' ' ' LEU . 9.0 pt-20 -46.16 -29.13 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 62.91 26.31 15.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -106.43 -49.06 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.72 13.95 7.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.05 57.15 18.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.856 ' ND2' HD22 ' A' ' 26' ' ' LEU . 28.4 m-20 -128.24 135.62 49.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.753 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.92 HD11 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -83.1 122.98 29.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.562 HD22 ' O ' ' A' ' 65' ' ' ASN . 1.6 mm? -112.73 138.53 49.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.682 HD23 HD23 ' A' ' 57' ' ' LEU . 12.4 mt -80.16 143.47 33.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.53 -55.33 8.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -146.42 -177.24 5.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -65.68 110.94 2.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.627 HD22 ' H ' ' A' ' 72' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.428 HG23 ' O ' ' A' ' 103' ' ' ILE . 54.0 mt -102.59 133.33 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.05 148.29 45.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -106.12 113.88 27.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.581 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.558 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.8 p90 -147.57 172.99 13.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 88' ' ' PHE . 10.1 mp0 -154.15 152.56 30.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.349 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.523 HG21 HD21 ' A' ' 30' ' ' LEU . 61.5 t -100.34 110.02 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.717 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 3.6 tp -84.8 137.7 33.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.488 ' N ' HD12 ' A' ' 91' ' ' LEU . 95.1 mt -128.25 148.46 50.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.488 ' O ' ' C ' ' A' ' 94' ' ' SER . 21.5 mttm -100.63 174.02 6.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 93' ' ' LYS . 89.4 p -32.11 109.6 0.3 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.3 Cg_endo -75.04 123.69 9.36 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.991 0.04 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.8 t -61.46 134.86 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -170.99 152.09 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.717 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 18.8 m-85 -128.2 156.24 43.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.939 HG23 HG21 ' A' ' 12' ' ' THR . 3.8 mp -123.04 163.16 22.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.723 ' O ' HG22 ' A' ' 12' ' ' THR . 7.0 mt-30 -117.65 81.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.558 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -83.59 -177.8 51.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -151.04 153.91 36.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.558 HG23 HG12 ' A' ' 17' ' ' VAL . 19.0 mt -125.27 104.36 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 15' ' ' TYR . 20.8 mt-30 -76.34 149.36 37.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 tp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 1.006 HG23 HG13 ' A' ' 13' ' ' ILE . 5.2 t -96.77 -32.02 12.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.441 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 1.006 HG13 HG23 ' A' ' 12' ' ' THR . 8.2 mt -132.84 149.81 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 p -135.32 117.42 15.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.386 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.822 ' HD2' HG12 ' A' ' 27' ' ' VAL . 4.1 m-85 -97.78 160.83 14.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.7 p -132.06 105.17 7.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.459 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -99.77 135.34 41.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.98 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 27' ' ' VAL . 2.3 tp -80.45 113.54 18.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.822 HG12 ' HD2' ' A' ' 15' ' ' TYR . 45.0 t -76.55 -45.81 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.461 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 172.72 -175.31 45.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.485 ' C ' ' HH ' ' A' ' 15' ' ' TYR . 8.8 m-20 -100.61 140.22 35.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.913 HD21 ' CG2' ' A' ' 90' ' ' VAL . 6.3 tp -109.27 -60.36 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.519 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -61.78 -26.54 68.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.5 -21.7 22.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.427 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -69.51 -54.43 14.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.801 HD21 HD11 ' A' ' 13' ' ' ILE . 42.4 mt -73.22 -7.41 51.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.41 13.38 83.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.0 mt -84.51 177.13 8.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.752 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.88 155.18 24.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.0 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.993 HD21 ' O ' ' A' ' 63' ' ' SER . 3.0 mm? -44.38 -60.32 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.84 ' O ' HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER -40.98 -56.53 2.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -52.13 -46.97 65.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.898 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -66.81 -27.93 67.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -76.75 -56.21 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.84 HG23 ' O ' ' A' ' 39' ' ' ARG . 61.9 p -49.08 -47.63 44.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 92' ' ' LEU . 17.8 mtm180 -86.33 12.9 9.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' ARG . . . 36.86 91.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.898 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -99.35 125.64 45.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 0.792 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -141.09 158.19 44.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.235 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.686 HG21 ' HB3' ' A' ' 57' ' ' LEU . 8.9 mm -90.27 131.84 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.2 mp . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.686 ' HB3' HG21 ' A' ' 48' ' ' ILE . 30.9 mt -132.46 153.02 51.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -155.6 105.71 2.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -78.24 131.65 37.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.337 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 12.3 pt-20 -98.78 111.17 23.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -72.16 -4.13 27.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.38 -10.37 59.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.993 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -148.0 -50.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.61 58.53 0.6 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -135.02 162.15 33.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 0.788 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.524 ' CD2' HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -96.61 103.48 15.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.683 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.1 mm? -101.84 156.13 17.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.769 HD22 HD11 ' A' ' 72' ' ' LEU . 2.3 mt -90.4 168.29 11.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.505 ' HA ' ' CE ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -91.14 -36.83 13.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -170.13 -177.85 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -55.73 125.53 21.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.769 HD11 HD22 ' A' ' 68' ' ' LEU . 1.2 mm? . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 103' ' ' ILE . 76.8 mt -122.53 134.89 64.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -72.17 151.09 43.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.419 ' CE1' ' O ' ' A' ' 85' ' ' ILE . 1.3 m-70 -110.51 112.91 25.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.558 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.463 ' CD2' HG13 ' A' ' 103' ' ' ILE . 4.8 p90 -147.3 174.32 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -153.01 172.07 17.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.913 ' CG2' HD21 ' A' ' 30' ' ' LEU . 19.5 t -122.2 114.07 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.712 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 10.1 tp -90.96 135.74 33.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.415 ' HA ' ' O ' ' A' ' 44' ' ' ARG . 90.1 mt -126.59 146.35 50.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 94' ' ' SER . 5.6 mttm -97.32 175.1 6.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 93' ' ' LYS . 68.4 p -35.31 111.86 0.45 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.1 Cg_endo -75.01 122.55 8.29 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.948 0.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 17.5 t -58.09 132.36 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 98' ' ' PHE . 40.8 tt0 -160.32 148.98 16.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.712 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 19.3 m-85 -127.46 157.98 38.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.945 HG23 HG21 ' A' ' 12' ' ' THR . 4.6 mp -133.81 165.82 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.533 ' O ' HG22 ' A' ' 12' ' ' THR . 5.3 mt-30 -133.4 85.55 2.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -89.21 -170.77 45.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -147.61 158.59 44.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.535 ' O ' HG23 ' A' ' 85' ' ' ILE . 28.7 mt -127.04 107.7 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -97.2 144.63 26.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 tp . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.547 ' HB2' ' HG3' ' A' ' 102' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 1.012 HG23 HG13 ' A' ' 13' ' ' ILE . 6.8 t -103.59 -32.18 9.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 1.012 HG13 HG23 ' A' ' 12' ' ' THR . 13.8 mt -129.48 148.83 33.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 p -136.37 116.86 13.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.832 ' HD2' HG12 ' A' ' 27' ' ' VAL . 5.0 m-85 -96.18 156.62 16.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.5 p -122.23 108.66 13.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.684 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -118.37 131.54 56.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 0.731 . . . . 0.0 110.001 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.525 HD22 ' ND2' ' A' ' 65' ' ' ASN . 3.6 tp -80.91 111.49 17.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.832 HG12 ' HD2' ' A' ' 15' ' ' TYR . 76.3 t -78.39 -41.02 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.425 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 160.81 166.23 19.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 1.0 OUTLIER -83.1 140.22 32.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.056 HD21 HG22 ' A' ' 90' ' ' VAL . 12.3 tp -101.43 -31.87 10.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.606 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -80.11 -41.15 26.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -72.19 -24.39 61.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.75 -65.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.241 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.746 HD21 ' CD1' ' A' ' 13' ' ' ILE . 10.1 mt -71.5 -7.66 48.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.91 15.62 80.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' ALA . 15.5 mt -80.52 159.85 25.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.794 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.4 m -90.01 143.67 26.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.823 ' O ' HD12 ' A' ' 42' ' ' ILE . 1.0 OUTLIER -40.67 -54.25 2.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 42' ' ' ILE . 1.4 ttt180 -45.24 -58.95 2.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -49.19 -43.22 42.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.842 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -67.75 -26.21 66.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.823 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -82.41 -57.19 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -54.14 -45.57 72.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.443 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -81.45 5.54 17.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 41.5 91.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.842 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -103.27 124.17 48.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.65 ' CD ' HD23 ' A' ' 91' ' ' LEU . 11.5 pt20 -133.69 165.25 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.72 HG21 ' HB3' ' A' ' 57' ' ' LEU . 15.0 mm -100.3 129.92 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 88' ' ' PHE . 16.3 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.72 ' HB3' HG21 ' A' ' 48' ' ' ILE . 13.6 mt -136.39 149.01 48.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -155.22 111.01 3.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.521 HD23 ' O ' ' A' ' 46' ' ' ALA . 48.9 tp -78.88 118.87 21.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.613 ' OE1' HD21 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -55.52 -40.26 71.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 65.86 9.18 5.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -106.88 -37.86 6.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.94 9.15 6.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.92 52.72 50.57 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.548 1.155 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.528 ' O ' HD22 ' A' ' 67' ' ' LEU . 46.3 m-20 -131.38 140.28 49.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.623 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -86.41 122.88 30.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.613 HD21 ' OE1' ' A' ' 60' ' ' GLU . 2.3 mm? -110.33 134.84 51.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.925 HD22 HD11 ' A' ' 72' ' ' LEU . 4.3 mt -79.46 148.16 32.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -43.96 72.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -172.13 -176.53 1.67 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.1 ttpt -49.69 123.32 7.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.925 HD11 HD22 ' A' ' 68' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.727 HG23 ' O ' ' A' ' 103' ' ' ILE . 86.3 mt -114.27 134.5 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.418 ' HB3' HD12 ' A' ' 103' ' ' ILE . 0.3 OUTLIER -72.1 152.58 42.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -113.44 111.28 21.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.588 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.532 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 6.3 p90 -144.62 173.87 11.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -150.66 149.26 29.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 1.056 HG22 HD21 ' A' ' 30' ' ' LEU . 49.2 t -99.24 112.43 31.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.799 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 8.1 tp -90.5 136.12 33.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 91' ' ' LEU . 75.9 mt -131.45 148.48 52.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 94' ' ' SER . 13.8 mttm -100.06 175.38 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.372 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 93' ' ' LYS . 59.6 p -32.45 109.6 0.31 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.96 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.483 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.02 122.28 8.07 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.969 0.004 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 24.3 t -63.27 133.06 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -168.77 146.94 3.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.799 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 7.0 m-85 -122.91 158.68 29.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.921 HG23 HG21 ' A' ' 12' ' ' THR . 4.2 mp -129.91 162.7 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.433 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 1.8 mt-30 -117.34 70.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.532 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -76.3 162.13 52.22 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.547 ' HG3' ' HB2' ' A' ' 11' ' ' ALA . 10.0 mm-40 -130.13 165.83 21.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.727 ' O ' HG23 ' A' ' 85' ' ' ILE . 31.9 mt -133.07 117.21 28.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -107.37 144.18 34.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.48 ' HB1' ' OE1' ' A' ' 102' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.992 HG23 HG13 ' A' ' 13' ' ' ILE . 5.0 t -106.23 -32.42 8.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.992 HG13 HG23 ' A' ' 12' ' ' THR . 6.8 mt -129.48 147.31 33.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -136.25 116.61 13.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.799 ' HD2' HG12 ' A' ' 27' ' ' VAL . 2.7 m-85 -100.88 168.74 9.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.0 p -130.51 122.46 27.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.962 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.577 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -97.39 148.77 22.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 0.768 . . . . 0.0 110.043 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 28' ' ' GLY . 1.5 tp -77.34 113.05 14.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.799 HG12 ' HD2' ' A' ' 15' ' ' TYR . 94.6 t -81.29 -39.65 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.519 ' N ' HD12 ' A' ' 26' ' ' LEU . . . 164.88 157.07 9.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.4 ' O ' ' OD1' ' A' ' 33' ' ' ASP . 6.2 p30 -79.16 131.52 36.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.783 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.878 HD21 ' CG2' ' A' ' 90' ' ' VAL . 9.8 tp -98.71 -37.85 9.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.511 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -68.35 -55.81 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -38.52 84.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 29' ' ' ASN . 0.1 OUTLIER -46.55 -54.55 9.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.585 HD21 ' CD1' ' A' ' 13' ' ' ILE . 16.2 mt -90.5 22.96 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 48.32 26.0 4.63 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.3 mt -84.41 161.37 20.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 m -98.21 145.22 26.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.878 ' O ' HD12 ' A' ' 42' ' ' ILE . 2.3 mm? -46.84 -52.99 12.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.639 ' O ' HG23 ' A' ' 43' ' ' THR . 1.7 ttp-105 -47.21 -45.85 23.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -63.83 -51.2 65.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.741 HD13 ' HB3' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -59.64 -24.86 64.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.878 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -81.0 -50.58 16.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 39' ' ' ARG . 16.8 p -54.81 -49.89 69.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.362 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 36.1 mtm-85 -77.7 1.59 19.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 41.09 62.81 1.67 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.883 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -73.62 118.98 17.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.761 ' CD ' HD23 ' A' ' 91' ' ' LEU . 6.5 pt20 -124.99 159.8 30.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.325 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.733 HD11 HD22 ' A' ' 30' ' ' LEU . 42.8 mm -95.33 135.96 27.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.9 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.615 HD21 HG21 ' A' ' 27' ' ' VAL . 17.1 mt -107.37 154.54 21.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.03 105.0 2.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.883 HD23 ' O ' ' A' ' 46' ' ' ALA . 11.8 tp -78.87 107.49 11.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.9 OUTLIER -40.92 -51.67 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.613 ' O ' HD11 ' A' ' 42' ' ' ILE . 4.9 tt0 84.82 -10.07 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -93.74 -36.46 12.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.4 -10.47 14.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.629 ' N ' HD11 ' A' ' 38' ' ' LEU . . . 70.24 48.46 38.42 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.554 ' O ' HD22 ' A' ' 67' ' ' LEU . 48.9 m-20 -135.16 149.92 50.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.573 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -84.9 123.2 30.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.554 HD22 ' O ' ' A' ' 65' ' ' ASN . 1.4 mm? -113.54 134.55 54.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.742 HD22 HD21 ' A' ' 72' ' ' LEU . 8.6 mt -80.21 131.7 35.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.47 -61.22 2.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -146.24 -174.9 4.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -57.0 120.38 7.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.742 HD21 HD22 ' A' ' 68' ' ' LEU . 1.2 mm? . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.462 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.7 t . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 82.8 mt -133.29 134.2 57.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.45 150.29 43.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -109.17 110.7 21.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.581 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.568 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.5 p90 -143.94 166.92 23.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -144.68 158.98 43.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.878 ' CG2' HD21 ' A' ' 30' ' ' LEU . 98.1 t -105.97 105.52 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.781 HD13 ' CE1' ' A' ' 98' ' ' PHE . 6.8 tp -79.71 133.83 36.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.609 HD12 ' HB3' ' A' ' 97' ' ' GLN . 51.5 mt -124.55 146.85 48.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 94' ' ' SER . 10.5 mttm -99.65 173.87 6.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.453 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 28.4 p -35.17 111.63 0.44 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.07 122.45 8.22 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.004 -2.498 . . . . 0.0 111.007 0.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.6 134.86 20.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.609 ' HB3' HD12 ' A' ' 92' ' ' LEU . 2.7 tm0? -163.44 158.22 20.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.781 ' CE1' HD13 ' A' ' 91' ' ' LEU . 97.2 m-85 -139.1 149.04 44.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.924 HG23 HG21 ' A' ' 12' ' ' THR . 3.5 mp -122.99 163.63 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.825 ' O ' HG22 ' A' ' 12' ' ' THR . 5.1 mt-30 -118.99 89.04 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.568 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -88.54 178.83 45.97 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.491 1.12 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.48 ' OE1' ' HB1' ' A' ' 11' ' ' ALA . 40.2 mp0 -146.21 148.69 32.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.744 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.487 HG13 ' CE2' ' A' ' 88' ' ' PHE . 10.7 mt -123.67 98.86 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -74.62 131.35 40.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.337 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 84' ' ' CYS . 2.3 mm? . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.416 ' HB2' ' HG3' ' A' ' 102' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.948 HG21 HG23 ' A' ' 99' ' ' ILE . 5.0 t -99.39 -32.87 10.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.429 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.891 HG13 HG23 ' A' ' 12' ' ' THR . 16.3 mt -129.67 150.11 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -135.99 117.23 14.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.413 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.835 ' CD2' HG12 ' A' ' 27' ' ' VAL . 5.6 m-85 -100.91 166.54 10.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 p -132.0 117.25 18.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.996 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.755 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -115.4 136.84 52.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 27' ' ' VAL . 2.5 tp -83.24 113.07 20.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.835 HG12 ' CD2' ' A' ' 15' ' ' TYR . 42.5 t -82.13 -40.41 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.441 ' N ' HD12 ' A' ' 26' ' ' LEU . . . 164.99 -169.14 39.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 4.6 m120 -107.49 140.45 40.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.68 HD22 HD11 ' A' ' 48' ' ' ILE . 12.1 tp -105.46 -61.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.551 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -54.88 -41.02 70.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.64 -44.86 61.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.543 ' OD2' ' CE1' ' A' ' 15' ' ' TYR . 1.1 m-20 -40.16 -70.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.794 HD21 HD11 ' A' ' 13' ' ' ILE . 9.1 mt -63.18 -25.42 68.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.42 18.54 38.42 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ALA . 79.8 mt -84.37 165.78 17.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 0.747 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 m -93.62 155.49 17.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.998 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.731 HD21 ' O ' ' A' ' 63' ' ' SER . 3.6 mm? -50.83 -59.51 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.6 ' O ' HG23 ' A' ' 43' ' ' THR . 6.5 ttp180 -42.74 -44.95 4.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -62.43 -47.81 82.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.806 HD13 ' HB3' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -63.74 -25.02 68.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.606 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -82.81 -53.39 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.6 HG23 ' O ' ' A' ' 39' ' ' ARG . 22.2 p -56.01 -44.84 79.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.421 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -79.59 -0.68 34.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 43.2 71.37 0.42 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.806 ' HB3' HD13 ' A' ' 41' ' ' LEU . . . -87.76 116.46 25.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.766 ' OE1' HD23 ' A' ' 91' ' ' LEU . 12.9 pt20 -123.84 162.03 24.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.68 HD11 HD22 ' A' ' 30' ' ' LEU . 17.2 mm -94.4 135.59 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 48' ' ' ILE . 16.8 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.667 ' HB3' HG21 ' A' ' 48' ' ' ILE . 15.8 mt -132.62 152.3 51.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.71 103.47 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.56 134.52 35.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -91.04 115.23 27.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -84.53 11.5 8.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.49 4.22 50.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.731 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -163.32 -45.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.82 67.84 0.61 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -143.73 152.92 41.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.61 HD23 HD22 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -98.77 104.78 16.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.629 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.3 mm? -101.61 149.37 24.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.755 HD12 ' HB3' ' A' ' 25' ' ' SER . 2.8 mt -86.45 147.23 26.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -53.47 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -166.57 -175.21 3.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -45.34 123.05 3.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.63 HD22 ' H ' ' A' ' 72' ' ' LEU . 1.5 mm? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 103' ' ' ILE . 93.8 mt -115.98 134.56 58.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.98 152.55 42.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -111.34 110.6 21.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.595 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.478 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.4 p90 -144.0 170.71 15.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.6 mp0 -153.01 145.78 24.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.43 ' CG2' HD21 ' A' ' 30' ' ' LEU . 19.8 t -94.09 127.78 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.766 HD23 ' OE1' ' A' ' 47' ' ' GLN . 7.1 tp -98.68 134.74 41.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.582 ' N ' HD12 ' A' ' 91' ' ' LEU . 92.8 mt -127.92 148.09 50.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 94' ' ' SER . 21.8 mttm -103.15 173.55 6.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.506 ' C ' ' O ' ' A' ' 93' ' ' LYS . 52.2 p -31.37 108.61 0.27 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.03 122.63 8.35 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.008 -2.496 . . . . 0.0 111.007 0.015 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.401 HG22 ' HA ' ' A' ' 93' ' ' LYS . 24.6 t -64.37 134.39 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -168.8 145.88 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.521 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 8.5 m-85 -117.37 158.6 24.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.948 HG23 HG21 ' A' ' 12' ' ' THR . 4.5 mp -129.23 156.4 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.445 ' O ' HG22 ' A' ' 12' ' ' THR . 8.0 mt-30 -116.63 72.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.478 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -73.81 -178.39 37.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.416 ' HG3' ' HB2' ' A' ' 11' ' ' ALA . 64.2 mm-40 -147.4 158.72 44.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.506 ' O ' HG23 ' A' ' 85' ' ' ILE . 20.8 mt -130.71 108.73 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -91.68 133.0 35.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.984 HG23 HG13 ' A' ' 13' ' ' ILE . 6.7 t -103.07 -32.11 9.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.385 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.984 HG13 HG23 ' A' ' 12' ' ' THR . 12.0 mt -132.11 149.67 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.4 p -135.81 117.53 15.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.823 ' HD2' HG12 ' A' ' 27' ' ' VAL . 5.6 m-85 -98.09 165.27 11.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 p -132.47 107.26 8.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.572 ' CB ' HD12 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -114.28 132.68 56.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 0.809 . . . . 0.0 109.983 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' ' 27' ' ' VAL . 2.2 tp -75.65 113.92 13.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.823 HG12 ' HD2' ' A' ' 15' ' ' TYR . 41.6 t -80.67 -41.51 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.506 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 170.2 -173.69 44.22 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.408 ' O ' ' OH ' ' A' ' 15' ' ' TYR . 5.6 m-80 -102.0 144.44 30.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.753 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.644 HD21 HG22 ' A' ' 90' ' ' VAL . 11.9 tp -116.98 -55.51 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.594 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -66.2 -23.7 66.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -93.89 -23.62 18.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.49 -48.79 63.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.75 HD21 ' CD1' ' A' ' 13' ' ' ILE . 12.9 mt -86.76 11.76 12.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 55.25 22.84 31.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.0 mt -82.35 175.85 9.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.81 148.18 32.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.666 HD21 ' O ' ' A' ' 63' ' ' SER . 1.4 mm? -45.93 -64.48 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -40.39 -45.56 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 110.274 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -61.98 -49.26 76.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.613 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -62.33 -23.86 67.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 109.284 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.1 mp -84.75 -56.35 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.5 p -55.8 -38.18 69.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.344 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -82.84 3.42 29.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 41.29 75.72 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.763 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -96.0 125.2 40.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.668 ' CD ' HD23 ' A' ' 91' ' ' LEU . 13.4 pt20 -133.23 158.74 42.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.707 HG21 ' HB3' ' A' ' 57' ' ' LEU . 25.9 mm -93.19 136.88 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.707 ' HB3' HG21 ' A' ' 48' ' ' ILE . 15.5 mt -133.19 155.66 48.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.62 112.04 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.763 HD23 ' O ' ' A' ' 46' ' ' ALA . 3.7 tp -78.83 111.06 14.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.4 OUTLIER -38.11 -56.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.638 ' O ' HD12 ' A' ' 38' ' ' LEU . 0.8 OUTLIER 85.59 -46.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -8.67 57.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.666 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -126.24 -44.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.25 39.74 3.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.426 ' O ' HD22 ' A' ' 67' ' ' LEU . 89.2 m-20 -126.33 155.77 41.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 0.726 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.494 HD13 ' CZ ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -93.3 104.8 16.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.488 ' CD2' ' HB2' ' A' ' 60' ' ' GLU . 2.0 mm? -100.69 154.56 18.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.688 HD22 HD11 ' A' ' 72' ' ' LEU . 5.1 mt -87.59 177.02 7.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.79 -40.04 6.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -167.07 -177.87 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -57.96 124.24 18.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.688 HD11 HD22 ' A' ' 68' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.445 HG23 ' H ' ' A' ' 103' ' ' ILE . 95.8 mt -96.69 135.69 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.442 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -73.32 152.99 40.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -112.87 114.33 26.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.603 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.504 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 5.7 p90 -147.06 169.2 19.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -152.05 143.68 23.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.644 HG22 HD21 ' A' ' 30' ' ' LEU . 38.1 t -91.82 108.04 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.767 HD13 ' CE1' ' A' ' 98' ' ' PHE . 7.2 tp -86.3 136.73 33.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 91' ' ' LEU . 61.6 mt -127.92 147.59 50.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 94' ' ' SER . 9.4 mttt -97.72 174.71 6.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 93' ' ' LYS . 26.3 p -34.67 111.57 0.42 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.4 Cg_endo -74.97 123.18 8.82 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.008 -0.023 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 24.7 t -57.6 126.48 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -152.19 154.23 35.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.767 ' CE1' HD13 ' A' ' 91' ' ' LEU . 80.4 m-85 -136.86 158.08 45.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.93 HG23 HG21 ' A' ' 12' ' ' THR . 4.1 mp -134.11 163.42 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.647 ' O ' HG22 ' A' ' 12' ' ' THR . 5.9 mt-30 -124.99 85.25 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.504 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -87.8 -173.69 47.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -147.59 158.21 43.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.767 . . . . 0.0 110.283 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.445 ' H ' HG23 ' A' ' 85' ' ' ILE . 13.6 mt -129.26 107.47 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -96.48 146.2 25.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 1.038 HG23 HG13 ' A' ' 13' ' ' ILE . 6.8 t -106.47 -32.09 8.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.421 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 1.038 HG13 HG23 ' A' ' 12' ' ' THR . 17.3 mt -125.49 149.45 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -136.54 117.38 14.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.814 ' HD2' HG12 ' A' ' 27' ' ' VAL . 4.5 m-85 -96.74 159.05 15.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 p -127.11 106.92 9.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.713 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -98.1 137.97 36.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 109.982 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 27' ' ' VAL . 2.0 tp -81.16 114.75 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.814 HG12 ' HD2' ' A' ' 15' ' ' TYR . 95.0 t -86.91 -37.55 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.494 ' N ' HD12 ' A' ' 26' ' ' LEU . . . 159.79 170.99 25.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 0.9 OUTLIER -96.08 137.48 35.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.741 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.946 HD21 HG22 ' A' ' 90' ' ' VAL . 8.2 tp -93.56 -44.78 8.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.614 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -66.82 -40.82 88.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.31 -31.71 65.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -66.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.762 HD21 ' CD1' ' A' ' 13' ' ' ILE . 8.4 mt -69.86 -8.22 46.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.74 16.95 80.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' ALA . 15.2 mt -74.42 169.05 18.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' LEU . 8.3 t -99.36 139.67 34.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.97 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.991 HD21 ' O ' ' A' ' 63' ' ' SER . 2.9 mm? -40.15 -56.48 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.65 -48.37 5.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -60.7 -51.63 68.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 1.088 HD13 ' HB3' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -59.43 -25.56 64.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.351 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.1 mp -80.49 -54.15 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 p -53.94 -54.3 40.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.402 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -76.25 -1.29 25.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 41.55 74.44 0.17 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.088 ' HB3' HD13 ' A' ' 41' ' ' LEU . . . -84.09 117.72 23.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.711 ' CD ' HD23 ' A' ' 91' ' ' LEU . 7.0 pt20 -118.24 170.33 8.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.848 HG21 ' HB3' ' A' ' 57' ' ' LEU . 17.0 mm -101.5 134.68 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.4 mt . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.414 ' HA ' ' CB ' ' A' ' 69' ' ' LYS . 3.3 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.848 ' HB3' HG21 ' A' ' 48' ' ' ILE . 10.2 mt -140.74 138.99 34.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -141.64 104.59 4.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 46' ' ' ALA . 20.5 tp -80.38 96.89 6.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.813 ' HG2' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -35.8 -49.32 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.24 3.83 4.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.461 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -86.3 -19.43 29.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.991 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -143.06 -46.25 0.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 110.001 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.05 60.17 0.14 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.499 1.125 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.519 ' O ' HD22 ' A' ' 67' ' ' LEU . 98.4 m-20 -143.26 139.92 30.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.794 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -88.1 125.08 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.813 HD21 ' HG2' ' A' ' 60' ' ' GLU . 1.6 mm? -114.53 132.52 56.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.922 HD22 HD11 ' A' ' 72' ' ' LEU . 4.3 mt -73.66 142.33 46.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.414 ' CB ' ' HA ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -65.33 -49.51 69.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -151.39 -175.34 5.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -66.66 117.59 9.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.922 HD11 HD22 ' A' ' 68' ' ' LEU . 1.1 mm? . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.755 HG23 ' O ' ' A' ' 103' ' ' ILE . 73.2 mt -109.77 131.25 61.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.466 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -71.68 142.05 49.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -106.55 113.97 27.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.631 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.551 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 6.8 p90 -143.69 173.37 11.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -153.64 143.8 22.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.946 HG22 HD21 ' A' ' 30' ' ' LEU . 76.8 t -89.15 126.21 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.711 HD23 ' CD ' ' A' ' 47' ' ' GLN . 7.8 tp -98.62 133.58 42.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.594 ' N ' HD12 ' A' ' 91' ' ' LEU . 41.3 mt -123.14 144.36 49.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 94' ' ' SER . 7.7 mttt -98.01 174.34 6.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.45 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 21.8 p -35.02 111.34 0.42 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.01 122.65 8.36 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 121.041 -2.483 . . . . 0.0 110.974 0.024 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 23.3 t -55.61 127.27 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.594 ' HB3' HD12 ' A' ' 92' ' ' LEU . 1.2 tm0? -150.82 161.62 42.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.787 ' C ' HD12 ' A' ' 99' ' ' ILE . 84.1 m-85 -141.89 154.31 45.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.895 HG23 HG21 ' A' ' 12' ' ' THR . 3.9 mp -133.83 150.09 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.931 ' O ' HG22 ' A' ' 12' ' ' THR . 3.1 pt20 -105.57 90.61 3.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.551 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -96.34 167.09 24.65 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 13' ' ' ILE . 60.9 mm-40 -136.31 160.94 37.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.755 ' O ' HG23 ' A' ' 85' ' ' ILE . 25.6 mt -128.98 112.84 26.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -103.93 146.62 28.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.0 tp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 1.024 HG23 HG13 ' A' ' 13' ' ' ILE . 5.9 t -102.55 -32.13 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.402 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 1.024 HG13 HG23 ' A' ' 12' ' ' THR . 10.3 mt -129.24 150.05 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 p -136.13 117.91 15.09 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.501 1.125 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.84 ' HD2' HG12 ' A' ' 27' ' ' VAL . 3.9 m-85 -99.83 169.47 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.3 p -132.41 121.6 23.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.462 HG12 HG23 ' A' ' 103' ' ' ILE . 11.6 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.421 ' CB ' HD12 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -122.72 131.96 54.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 0.0 110.026 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.527 HD12 ' H ' ' A' ' 28' ' ' GLY . 2.5 tp -76.33 111.98 12.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.84 HG12 ' HD2' ' A' ' 15' ' ' TYR . 62.8 t -81.27 -37.76 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.568 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 164.56 179.53 38.71 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.451 ' OD1' ' ND2' ' A' ' 65' ' ' ASN . 16.0 m-80 -103.15 140.06 37.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.784 HD21 HG21 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -111.15 -36.38 5.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.492 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -72.56 -37.78 68.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -78.6 -45.84 20.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -40.98 -69.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.722 HD21 ' CD1' ' A' ' 13' ' ' ILE . 7.4 mt -63.37 -22.17 66.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.12 14.57 60.33 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' ALA . 31.8 mt -80.52 143.05 33.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.47 149.1 42.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.95 HD21 ' O ' ' A' ' 63' ' ' SER . 1.4 mm? -42.98 -60.64 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -38.44 -57.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.098 . . . . 0.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -49.73 -55.55 13.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.651 HD13 ' HB3' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -54.72 -29.37 53.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -78.84 -60.62 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.3 p -53.78 -49.83 67.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.436 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.0 mtp85 -70.1 -7.44 41.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 46.11 96.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.944 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -111.05 135.74 51.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.764 ' CD ' HD23 ' A' ' 91' ' ' LEU . 4.3 pt20 -138.72 165.71 26.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.563 HG21 ' HB3' ' A' ' 57' ' ' LEU . 12.8 mm -100.45 130.57 49.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.482 HD21 ' OE1' ' A' ' 47' ' ' GLN . 13.4 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 56' ' ' LEU . 3.7 mp . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.803 HD23 ' HA ' ' A' ' 68' ' ' LEU . 16.9 mt -134.31 159.29 41.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.1 tt0 -155.53 112.44 3.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.944 HD23 ' O ' ' A' ' 46' ' ' ALA . 11.3 tp -81.59 108.49 15.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 2.6 mt-10 -38.64 -56.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.469 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER 84.33 -48.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.36 -15.95 63.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.95 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -120.86 -49.6 2.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.08 42.04 1.58 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.435 1.085 . . . . 0.0 111.027 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.491 ' O ' HD22 ' A' ' 67' ' ' LEU . 20.7 m120 -131.01 150.93 51.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.667 HD11 HD13 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -90.76 104.67 17.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.596 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.7 mm? -103.28 134.62 46.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.803 ' HA ' HD23 ' A' ' 57' ' ' LEU . 3.7 mt -65.48 -175.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.07 -51.88 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -146.43 -173.44 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -72.24 119.16 16.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.519 ' N ' HD13 ' A' ' 72' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.426 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.473 HG23 ' O ' ' A' ' 103' ' ' ILE . 97.1 mt -128.71 128.64 67.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.804 HD23 ' N ' ' A' ' 87' ' ' HIS . 6.0 tt -71.81 138.8 48.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.804 ' N ' HD23 ' A' ' 86' ' ' LEU . 6.5 m-70 -97.84 117.0 31.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.573 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.578 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.3 p90 -147.52 168.94 20.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -150.99 149.27 29.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.784 HG21 HD21 ' A' ' 30' ' ' LEU . 47.2 t -92.41 113.01 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.764 HD23 ' CD ' ' A' ' 47' ' ' GLN . 7.4 tp -88.06 134.21 33.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.576 ' N ' HD12 ' A' ' 91' ' ' LEU . 44.5 mt -123.8 148.39 46.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 94' ' ' SER . 0.0 OUTLIER -98.11 174.52 6.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 93' ' ' LYS . 14.0 p -35.22 111.85 0.44 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.416 ' C ' ' O ' ' A' ' 93' ' ' LYS . 18.3 Cg_endo -74.99 122.15 7.96 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.984 -0.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 40.8 t -56.27 128.42 16.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.754 ' OE1' HD11 ' A' ' 99' ' ' ILE . 6.6 tm0? -151.35 162.38 41.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.628 ' CE1' HD13 ' A' ' 91' ' ' LEU . 86.4 m-85 -142.68 151.72 41.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.905 HG23 HG21 ' A' ' 12' ' ' THR . 4.4 mp -131.24 156.5 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.918 ' O ' HG22 ' A' ' 12' ' ' THR . 3.4 pt20 -110.83 93.49 4.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.578 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -93.85 179.23 38.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -149.77 157.79 43.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 85' ' ' ILE . 14.2 mt -128.78 105.67 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -85.49 142.92 28.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 84' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 1.01 HG23 HG13 ' A' ' 13' ' ' ILE . 5.1 t -95.82 -32.67 12.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 1.01 HG13 HG23 ' A' ' 12' ' ' THR . 7.8 mt -133.79 149.45 30.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -134.2 116.67 15.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.826 ' HD2' HG12 ' A' ' 27' ' ' VAL . 3.7 m-85 -95.13 160.4 14.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 p -132.11 105.24 7.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.645 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -109.22 141.8 40.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.993 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.497 HD12 ' H ' ' A' ' 28' ' ' GLY . 3.1 tp -82.64 111.59 18.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.826 HG12 ' HD2' ' A' ' 15' ' ' TYR . 57.7 t -78.93 -39.06 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.497 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 164.32 177.2 36.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -91.97 141.19 28.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.79 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.864 HD21 ' CG2' ' A' ' 90' ' ' VAL . 6.1 tp -108.04 -54.53 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.481 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -61.78 -44.02 97.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -73.34 -24.5 60.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.558 ' OD2' HG21 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -61.12 -52.85 63.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.881 HD21 HD11 ' A' ' 13' ' ' ILE . 55.1 mt -83.72 5.52 24.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.68 15.33 68.6 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.433 1.083 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' ALA . 77.3 mt -82.78 172.87 12.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.1 m -110.16 154.22 23.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.752 ' O ' HD12 ' A' ' 42' ' ' ILE . 1.4 mm? -47.21 -64.46 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.1 ttp-105 -38.47 -52.72 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -56.6 -51.82 67.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.703 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -60.51 -26.0 66.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.752 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.1 mp -79.77 -52.59 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 p -54.9 -43.03 72.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.158 . . . . 0.0 110.405 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -85.35 9.63 14.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 40.15 90.59 0.01 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.797 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -101.11 128.65 47.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.52 ' CG ' HD23 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -142.33 159.93 41.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.915 HG21 ' HB3' ' A' ' 57' ' ' LEU . 7.6 mm -92.83 132.16 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.543 HD21 ' CB ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 56' ' ' LEU . 5.3 mp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.915 ' HB3' HG21 ' A' ' 48' ' ' ILE . 13.0 mt -137.36 149.18 46.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.6 119.37 4.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.797 HD23 ' O ' ' A' ' 46' ' ' ALA . 10.3 tp -84.13 121.99 28.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 1.4 mm-40 -50.78 -55.44 16.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 4.2 tt0 89.34 -27.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.335 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.467 ' CG ' ' OE2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -96.21 -13.11 23.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.655 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -119.12 -40.45 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.042 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.37 41.78 5.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.555 1.16 . . . . 0.0 110.976 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.483 ' O ' HD12 ' A' ' 59' ' ' LEU . 40.5 m-20 -129.92 162.0 29.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.626 ' CD2' HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -95.82 107.68 19.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.616 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.5 mm? -102.35 150.78 22.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.875 HD22 HD11 ' A' ' 72' ' ' LEU . 4.3 mt -89.15 164.46 15.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -47.42 8.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -159.22 -174.47 4.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.34 122.01 12.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.875 HD11 HD22 ' A' ' 68' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.403 HG23 ' H ' ' A' ' 103' ' ' ILE . 61.4 mt -114.5 135.09 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.597 ' HB3' HD12 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -73.58 153.32 40.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -112.43 117.16 31.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.614 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -151.0 173.71 13.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -154.79 167.01 31.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.864 ' CG2' HD21 ' A' ' 30' ' ' LEU . 24.6 t -118.19 112.94 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.761 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 5.2 tp -93.74 135.99 34.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.489 HD12 ' NE2' ' A' ' 97' ' ' GLN . 89.8 mt -124.43 149.44 46.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 94' ' ' SER . 5.2 mttm -98.07 174.63 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 93' ' ' LYS . 24.7 p -35.47 111.77 0.46 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.429 ' C ' ' O ' ' A' ' 93' ' ' LYS . 18.5 Cg_endo -75.0 122.25 8.05 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.943 -2.524 . . . . 0.0 111.02 0.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 19.1 t -55.58 137.5 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.489 ' NE2' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -159.57 160.01 33.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.761 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 35.9 m-85 -142.44 155.28 45.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.936 HG23 HG21 ' A' ' 12' ' ' THR . 4.9 mp -136.47 166.13 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.615 ' O ' HG22 ' A' ' 12' ' ' THR . 5.4 mt-30 -136.54 92.58 2.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.08 -169.16 36.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -146.4 156.62 43.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.597 HD12 ' HB3' ' A' ' 86' ' ' LEU . 30.3 mt -123.68 106.25 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -90.98 132.63 35.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 1.005 HG23 HG13 ' A' ' 13' ' ' ILE . 5.8 t -102.95 -32.54 9.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.444 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 1.005 HG13 HG23 ' A' ' 12' ' ' THR . 11.2 mt -130.91 152.41 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p -134.76 116.79 15.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.425 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.89 ' CD2' HG12 ' A' ' 27' ' ' VAL . 5.1 m-85 -99.41 157.94 16.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.0 p -132.44 106.6 7.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 105' ' ' LEU . 3.9 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.634 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -119.0 136.38 54.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.775 . . . . 0.0 109.978 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.49 HD12 ' H ' ' A' ' 28' ' ' GLY . 3.3 tp -84.9 112.69 20.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.89 HG12 ' CD2' ' A' ' 15' ' ' TYR . 75.0 t -76.98 -40.53 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.49 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 164.77 -161.34 34.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.405 ' C ' ' OH ' ' A' ' 15' ' ' TYR . 8.0 m120 -107.93 142.77 37.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.653 HD21 HG22 ' A' ' 90' ' ' VAL . 6.1 tp -109.3 -53.27 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.616 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -77.05 -41.85 40.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -18.43 64.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.82 -73.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.417 HD21 ' CD1' ' A' ' 13' ' ' ILE . 3.9 mm? -62.29 -16.36 53.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.52 15.93 48.26 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.478 HD22 HH22 ' A' ' 44' ' ' ARG . 24.1 mt -83.74 156.85 22.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.8 157.68 16.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.971 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.705 ' O ' HD12 ' A' ' 42' ' ' ILE . 3.0 mm? -49.34 -61.28 2.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.838 ' O ' HG23 ' A' ' 43' ' ' THR . 4.2 ttp180 -38.66 -57.86 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.21 -48.05 65.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.616 ' HG ' ' HB2' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -66.27 -24.32 66.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.705 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -80.05 -53.86 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.838 HG23 ' O ' ' A' ' 39' ' ' ARG . 66.5 p -48.66 -46.13 39.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.478 HH22 HD22 ' A' ' 36' ' ' LEU . 35.0 mtm180 -85.9 12.51 9.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.87 88.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.764 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -94.98 124.73 39.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.605 ' CG ' HD23 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -138.28 159.36 42.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.256 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.807 HG21 ' HB3' ' A' ' 57' ' ' LEU . 10.5 mm -92.36 131.22 40.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.565 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.422 ' HA ' ' CB ' ' A' ' 69' ' ' LYS . 1.3 mp . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.807 ' HB3' HG21 ' A' ' 48' ' ' ILE . 16.0 mt -138.64 151.58 47.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.6 tt0 -155.24 116.7 4.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 46' ' ' ALA . 14.4 tp -88.21 101.53 13.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -38.29 -56.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.615 ' O ' HD12 ' A' ' 38' ' ' LEU . 2.3 tt0 86.33 -13.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.05 -30.38 15.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.422 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -112.65 -28.0 7.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.048 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.01 43.39 6.36 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.5 ' O ' HD22 ' A' ' 67' ' ' LEU . 30.4 m-20 -127.24 152.48 47.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.776 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.673 HD23 HD22 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -90.74 106.99 18.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.5 HD22 ' O ' ' A' ' 65' ' ' ASN . 2.3 mm? -103.63 151.43 22.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.634 HD12 ' HB3' ' A' ' 25' ' ' SER . 2.2 mt -88.18 162.97 16.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.422 ' CB ' ' HA ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -78.67 -48.31 15.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -173.51 -174.83 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -42.69 119.07 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.645 HD22 ' H ' ' A' ' 72' ' ' LEU . 1.5 mm? . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.473 HG23 ' H ' ' A' ' 103' ' ' ILE . 88.9 mt -113.41 122.91 68.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.776 HD23 ' N ' ' A' ' 87' ' ' HIS . 3.0 tt -72.4 128.78 36.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.776 ' N ' HD23 ' A' ' 86' ' ' LEU . 6.6 p-80 -90.35 118.74 30.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.62 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.429 ' CD1' HG13 ' A' ' 103' ' ' ILE . 6.3 p90 -144.58 175.91 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.444 ' CG ' ' O ' ' A' ' 99' ' ' ILE . 2.7 mp0 -153.4 166.48 32.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.277 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.653 HG22 HD21 ' A' ' 30' ' ' LEU . 24.6 t -119.16 114.8 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.751 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 4.5 tp -90.35 135.35 33.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 93.4 mt -126.42 152.18 46.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 94' ' ' SER . 9.6 mttt -101.12 174.8 5.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 93' ' ' LYS . 0.8 OUTLIER -31.9 109.09 0.29 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.1 Cg_endo -75.05 122.8 8.49 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.973 -2.511 . . . . 0.0 110.983 0.01 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 12.5 t -64.0 134.7 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.244 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.419 ' HG2' ' N ' ' A' ' 98' ' ' PHE . 40.3 tt0 -169.95 156.78 6.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.751 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 7.7 m-85 -127.18 158.69 36.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.953 HG23 HG21 ' A' ' 12' ' ' THR . 4.5 mp -128.36 162.46 34.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.609 ' O ' HG22 ' A' ' 12' ' ' THR . 6.3 mt-30 -128.25 88.64 2.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -94.88 -176.73 38.13 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -136.03 165.67 25.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 0.803 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.473 ' H ' HG23 ' A' ' 85' ' ' ILE . 8.1 mt -137.45 103.71 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -98.27 152.88 18.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.405 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 3.0 tp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.446 ' CB ' ' HG3' ' A' ' 102' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . 1.011 HG23 HG13 ' A' ' 13' ' ' ILE . 4.8 t -99.75 -32.68 10.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.37 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 1.011 HG13 HG23 ' A' ' 12' ' ' THR . 7.3 mt -128.42 147.26 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p -136.22 117.47 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.414 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.76 ' HD2' HG12 ' A' ' 27' ' ' VAL . 3.1 m-85 -98.7 170.61 8.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.6 p -131.14 117.72 19.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.049 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.445 HG12 HG23 ' A' ' 103' ' ' ILE . 8.9 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.05 136.67 51.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 0.754 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 27' ' ' VAL . 1.3 tp -66.39 112.39 4.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.76 HG12 ' HD2' ' A' ' 15' ' ' TYR . 50.4 t -77.88 -42.46 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.56 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 172.5 173.17 38.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 7.3 m-80 -92.29 136.5 33.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.662 HD21 ' CG2' ' A' ' 90' ' ' VAL . 7.9 tp -108.9 -38.57 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.575 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -78.02 -28.31 49.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.19 -15.81 27.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -72.91 -52.22 15.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.788 HD21 HD11 ' A' ' 13' ' ' ILE . 21.8 mt -83.6 6.41 20.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.31 16.5 64.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.8 mt -78.05 170.7 16.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.9 t -107.86 154.32 21.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.785 HD21 ' O ' ' A' ' 63' ' ' SER . 1.9 mm? -49.45 -62.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.425 ' O ' HG23 ' A' ' 43' ' ' THR . 9.9 ttt-85 -42.58 -46.27 4.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.7 -46.75 89.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.798 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -66.55 -24.56 66.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.723 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.1 mp -81.38 -46.45 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 39' ' ' ARG . 7.8 p -61.56 -44.15 97.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.4 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 -83.8 -0.09 49.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 39.77 79.87 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.547 1.154 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.943 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -89.41 124.58 34.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 0.753 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.776 ' CD ' HD23 ' A' ' 91' ' ' LEU . 13.8 pt20 -127.6 154.11 45.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.875 HG21 ' HB3' ' A' ' 57' ' ' LEU . 48.9 mm -90.63 138.39 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.875 ' HB3' HG21 ' A' ' 48' ' ' ILE . 14.9 mt -149.52 145.0 26.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.94 119.64 4.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.943 HD23 ' O ' ' A' ' 46' ' ' ALA . 6.2 tp -86.15 113.37 22.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.51 ' HB2' HD21 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -40.6 -50.65 3.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 3.8 tt0 85.3 -46.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.77 -6.9 54.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.785 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -125.27 -45.34 1.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.42 50.82 1.8 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.57 ' O ' HD22 ' A' ' 67' ' ' LEU . 38.1 m-20 -146.96 153.62 40.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.756 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -86.4 118.75 26.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.57 HD22 ' O ' ' A' ' 65' ' ' ASN . 1.8 mm? -109.89 134.22 52.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.704 HD13 HD21 ' A' ' 72' ' ' LEU . 53.0 mt -74.89 151.8 38.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.406 ' CE ' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -94.46 -33.14 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -165.1 -174.18 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -71.78 120.1 16.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.704 HD21 HD13 ' A' ' 68' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.4 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 33.5 mt -113.24 136.58 49.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.475 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -71.92 152.36 42.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -109.98 109.86 20.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.629 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.501 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.5 p90 -146.07 170.56 16.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -154.94 143.33 20.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.662 ' CG2' HD21 ' A' ' 30' ' ' LEU . 94.5 t -88.55 116.57 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.776 HD23 ' CD ' ' A' ' 47' ' ' GLN . 5.4 tp -95.55 136.84 35.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.523 ' N ' HD12 ' A' ' 91' ' ' LEU . 39.9 mt -125.88 146.36 49.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 94' ' ' SER . 13.7 mttt -99.37 173.25 6.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 93' ' ' LYS . 22.8 p -34.15 110.94 0.39 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.3 Cg_endo -75.03 122.9 8.57 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.988 0.047 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 24.0 t -56.58 135.48 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.628 ' OE1' HD11 ' A' ' 99' ' ' ILE . 4.0 tm0? -161.29 153.0 19.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.67 ' C ' HD12 ' A' ' 99' ' ' ILE . 48.9 m-85 -136.64 150.82 48.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.866 HG23 HG21 ' A' ' 12' ' ' THR . 3.8 mp -128.26 162.9 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.985 ' O ' HG22 ' A' ' 12' ' ' THR . 4.8 pt20 -118.82 94.57 4.5 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.501 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -100.07 176.06 27.83 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.446 ' HG3' ' CB ' ' A' ' 11' ' ' ALA . 20.6 mt-10 -142.81 155.46 44.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.773 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.475 ' HB ' ' CB ' ' A' ' 86' ' ' LEU . 19.7 mt -123.87 102.07 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -78.44 148.73 33.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.999 HG23 HG13 ' A' ' 13' ' ' ILE . 6.0 t -105.48 -32.18 8.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.999 HG13 HG23 ' A' ' 12' ' ' THR . 18.0 mt -126.82 149.22 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -136.64 117.16 13.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.855 ' HD2' HG12 ' A' ' 27' ' ' VAL . 3.7 m-85 -100.89 159.1 15.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.3 p -128.14 114.86 17.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.0 p . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.746 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -116.12 137.33 52.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.954 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.527 HD12 ' H ' ' A' ' 28' ' ' GLY . 2.1 tp -83.04 113.09 20.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.855 HG12 ' HD2' ' A' ' 15' ' ' TYR . 85.7 t -83.36 -37.27 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.527 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 156.48 166.18 15.86 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.43 ' OD1' ' N ' ' A' ' 33' ' ' ASP . 12.7 p30 -90.16 146.04 24.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.719 HD13 HD11 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -111.0 -49.88 2.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.589 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -60.38 -22.52 63.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.5 -35.6 12.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.535 ' OD2' ' CE1' ' A' ' 15' ' ' TYR . 12.3 m-20 -56.39 -58.99 5.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.744 HD21 ' CD1' ' A' ' 13' ' ' ILE . 11.0 mt -69.91 -10.02 57.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.35 20.21 77.33 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.6 mt -83.72 178.76 7.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.1 m -114.53 148.29 38.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.903 HD21 ' O ' ' A' ' 63' ' ' SER . 0.9 OUTLIER -41.34 -64.13 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.776 ' O ' HG23 ' A' ' 43' ' ' THR . 25.8 ttt180 -42.25 -50.01 4.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -48.09 78.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 1.045 HD13 ' HB3' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -63.02 -23.7 67.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.693 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -84.07 -47.2 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.776 HG23 ' O ' ' A' ' 39' ' ' ARG . 47.3 p -54.7 -50.37 68.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -85.96 6.9 26.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 110.307 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.13 83.49 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.045 ' HB3' HD13 ' A' ' 41' ' ' LEU . . . -96.02 119.21 34.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 0.737 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.564 ' CD ' HD23 ' A' ' 91' ' ' LEU . 8.9 pt20 -122.93 167.76 13.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.823 HG21 ' HB3' ' A' ' 57' ' ' LEU . 21.2 mm -98.33 133.48 40.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 49' ' ' LEU . 13.9 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.823 ' HB3' HG21 ' A' ' 48' ' ' ILE . 8.4 mt -139.61 149.76 44.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -155.49 115.39 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.446 ' CB ' HG12 ' A' ' 48' ' ' ILE . 1.4 tp -79.06 144.29 34.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.5 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 1.6 mt-10 -98.06 103.66 15.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -76.7 1.0 18.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.95 0.84 39.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.903 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -151.3 -55.47 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.989 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . 111.87 54.31 0.5 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -139.83 157.05 46.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.719 HD11 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -92.7 113.19 25.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.5 ' CD2' ' HB2' ' A' ' 60' ' ' GLU . 2.5 mm? -107.5 139.26 42.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.746 HD12 ' HB3' ' A' ' 25' ' ' SER . 3.6 mt -79.72 163.98 24.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.04 -53.06 4.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -153.96 -177.81 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -55.63 124.96 19.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.739 HD11 HD22 ' A' ' 68' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.413 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 69.6 mt -122.22 131.49 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.402 1.064 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.477 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -72.03 134.49 45.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -97.97 115.45 28.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.62 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.514 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.6 p90 -150.65 171.79 16.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -154.89 148.49 25.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.486 HG21 HD21 ' A' ' 30' ' ' LEU . 87.0 t -91.55 121.9 42.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.746 HD13 ' CE1' ' A' ' 98' ' ' PHE . 7.5 tp -97.1 136.29 37.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 91' ' ' LEU . 85.0 mt -125.19 146.88 49.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 94' ' ' SER . 8.1 mttm -98.53 174.83 6.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 93' ' ' LYS . 21.8 p -34.66 111.09 0.41 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.4 Cg_endo -75.03 122.36 8.13 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.981 0.023 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 35.8 t -56.06 139.02 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.792 ' OE1' HD11 ' A' ' 99' ' ' ILE . 9.2 tm0? -165.64 157.63 14.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.746 ' CE1' HD13 ' A' ' 91' ' ' LEU . 96.4 m-85 -138.17 147.98 44.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.902 HG23 HG21 ' A' ' 12' ' ' THR . 4.2 mp -125.52 160.21 32.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.94 ' O ' HG22 ' A' ' 12' ' ' THR . 3.0 mt-30 -116.26 100.32 7.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.514 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -101.3 178.12 27.7 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -145.11 161.44 39.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.736 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.667 HD11 HD11 ' A' ' 57' ' ' LEU . 9.2 mt -133.33 106.0 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -94.64 151.83 18.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tp . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.998 HG23 HG13 ' A' ' 13' ' ' ILE . 8.0 t -104.8 -32.21 8.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.998 HG13 HG23 ' A' ' 12' ' ' THR . 19.6 mt -128.07 150.92 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -136.43 117.65 14.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.382 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.845 ' HD2' HG12 ' A' ' 27' ' ' VAL . 3.1 m-85 -101.95 169.05 9.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.967 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.6 p -130.02 105.25 7.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.955 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.733 HG12 HG23 ' A' ' 103' ' ' ILE . 12.3 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.95 139.29 50.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 0.793 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.804 HD13 ' HB3' ' A' ' 65' ' ' ASN . 7.7 tp -68.66 109.29 3.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.853 HG21 HD21 ' A' ' 57' ' ' LEU . 73.9 t -74.14 -50.76 26.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.533 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . -179.93 168.39 38.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -87.34 141.31 28.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.328 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.105 HD21 HG21 ' A' ' 90' ' ' VAL . 7.7 tp -116.93 -64.5 1.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.6 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -60.14 -27.81 67.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -89.45 -24.06 21.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -64.44 -68.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.585 HD21 ' CD1' ' A' ' 13' ' ' ILE . 4.4 mm? -62.78 -14.33 43.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.73 20.51 53.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ALA . 77.6 mt -79.25 168.98 18.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.16 142.93 34.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.887 ' O ' HD12 ' A' ' 42' ' ' ILE . 2.7 mm? -43.35 -52.89 5.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -49.35 -51.46 34.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.343 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.08 -45.79 79.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.774 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -66.39 -27.32 67.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.887 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -78.81 -50.47 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.414 ' HG1' ' H ' ' A' ' 44' ' ' ARG . 6.6 p -52.44 -48.4 65.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.405 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.414 ' H ' ' HG1' ' A' ' 43' ' ' THR . 79.7 mtm-85 -85.48 9.68 15.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' ARG . . . 35.91 85.36 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.132 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.774 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -95.24 127.36 41.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.753 ' CD ' HD23 ' A' ' 91' ' ' LEU . 7.8 pt20 -133.57 154.56 50.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.57 HG21 ' HB3' ' A' ' 57' ' ' LEU . 23.9 mm -91.1 131.03 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.853 HD21 HG21 ' A' ' 27' ' ' VAL . 18.0 mt -107.88 154.01 22.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -155.1 111.16 3.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.65 HD23 ' O ' ' A' ' 46' ' ' ALA . 1.9 tp -82.14 129.19 34.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.6 OUTLIER -58.94 -50.75 72.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.88 ' O ' HD11 ' A' ' 42' ' ' ILE . 1.6 mt-30 86.44 -15.95 0.44 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.39 -13.94 15.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.412 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -116.18 -35.65 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.629 ' N ' HD11 ' A' ' 38' ' ' LEU . . . 87.73 38.62 7.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.127 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.804 ' HB3' HD13 ' A' ' 26' ' ' LEU . 20.4 m120 -133.09 160.98 35.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.754 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -94.79 116.79 29.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.597 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.6 mm? -107.89 144.89 34.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.688 HD22 HD11 ' A' ' 72' ' ' LEU . 20.8 mt -83.45 150.68 25.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -87.21 -42.12 13.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -162.29 -175.07 4.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -63.45 116.1 5.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.688 HD11 HD22 ' A' ' 68' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 56.4 mt -92.0 133.92 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.472 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -72.0 151.97 42.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -114.03 111.64 21.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.591 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.572 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.5 p90 -145.62 172.55 13.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -152.75 158.72 42.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 1.105 HG21 HD21 ' A' ' 30' ' ' LEU . 15.0 t -106.51 107.13 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.753 HD23 ' CD ' ' A' ' 47' ' ' GLN . 6.2 tp -78.02 136.31 37.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.513 ' N ' HD12 ' A' ' 91' ' ' LEU . 90.5 mt -127.1 149.77 49.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.496 ' O ' ' C ' ' A' ' 94' ' ' SER . 21.9 mttm -103.05 173.76 6.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 93' ' ' LYS . 52.6 p -31.93 109.35 0.29 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.4 Cg_endo -74.97 123.5 9.14 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.051 -2.479 . . . . 0.0 110.995 -0.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.1 t -62.46 134.6 27.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -170.9 154.44 4.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.618 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 9.1 m-85 -125.66 158.42 34.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.974 HG23 HG21 ' A' ' 12' ' ' THR . 4.1 mp -125.27 156.75 34.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.812 ' O ' HG22 ' A' ' 12' ' ' THR . 6.1 mt-30 -110.86 89.18 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.335 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.572 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -93.8 163.63 25.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.404 ' OE2' ' O ' ' A' ' 101' ' ' GLY . 29.7 mm-40 -135.21 156.92 48.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 0.778 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.733 HG23 HG12 ' A' ' 17' ' ' VAL . 14.1 mt -129.01 102.5 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -77.97 139.99 39.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.285 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 tp . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.468 ' CB ' ' HG3' ' A' ' 102' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.972 HG23 HG13 ' A' ' 13' ' ' ILE . 6.9 t -107.36 -32.45 7.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.972 HG13 HG23 ' A' ' 12' ' ' THR . 18.6 mt -129.51 151.55 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -136.1 119.66 17.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.389 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.83 ' HD2' HG12 ' A' ' 27' ' ' VAL . 4.2 m-85 -103.64 159.87 15.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 p -126.36 111.05 14.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.993 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.757 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -120.3 136.01 54.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 110.01 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.546 HD12 ' N ' ' A' ' 27' ' ' VAL . 1.9 tp -80.03 114.59 19.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.83 HG12 ' HD2' ' A' ' 15' ' ' TYR . 94.1 t -86.91 -36.92 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.502 ' N ' HD12 ' A' ' 26' ' ' LEU . . . 158.78 166.52 18.0 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 10.3 p30 -91.34 143.93 26.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.752 HD21 HG21 ' A' ' 90' ' ' VAL . 8.4 tp -108.44 -23.77 11.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.481 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -83.67 -31.89 25.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -35.96 20.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.422 ' OD2' ' CE1' ' A' ' 15' ' ' TYR . 4.6 m-20 -50.93 -67.42 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.723 HD21 ' CD1' ' A' ' 13' ' ' ILE . 7.8 mt -62.75 -15.25 52.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.45 19.26 58.87 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ALA . 93.5 mt -86.03 178.34 7.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.777 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.96 158.95 21.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.947 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.031 HD21 ' O ' ' A' ' 63' ' ' SER . 1.4 mm? -47.0 -62.5 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -42.33 -53.71 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.7 -47.79 73.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.844 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -66.1 -24.28 66.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.841 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -79.95 -46.93 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.1 p -56.2 -51.26 68.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.376 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 mtm-85 -79.0 -4.22 48.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.241 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.45 81.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.844 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -95.2 125.21 39.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.258 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -142.78 158.74 43.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.929 HG21 ' HB3' ' A' ' 57' ' ' LEU . 12.8 mm -91.94 125.83 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.573 HD11 ' HB2' ' A' ' 91' ' ' LEU . 10.4 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.738 ' N ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.929 ' HB3' HG21 ' A' ' 48' ' ' ILE . 11.3 mt -143.93 147.64 34.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -155.32 117.48 4.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -86.94 143.6 27.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.476 ' CA ' ' OE1' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -97.62 103.61 15.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.05 -7.19 33.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.11 -10.24 33.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . 1.031 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -133.12 -65.45 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . 119.27 36.31 0.87 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.521 ' O ' HD22 ' A' ' 67' ' ' LEU . 67.6 m-20 -125.27 153.48 43.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.719 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -88.46 117.1 27.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.521 HD22 ' O ' ' A' ' 65' ' ' ASN . 2.1 mm? -108.29 135.78 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.933 HD22 HD11 ' A' ' 72' ' ' LEU . 3.3 mt -81.61 151.34 27.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.27 -38.73 50.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -171.91 -175.05 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -52.68 135.54 34.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.933 HD11 HD22 ' A' ' 68' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.502 HG23 ' H ' ' A' ' 103' ' ' ILE . 69.2 mt -120.02 123.36 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -84.48 114.52 21.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.544 ' N ' HD23 ' A' ' 86' ' ' LEU . 7.4 p80 -100.18 124.23 45.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.627 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.559 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 23.2 p90 -117.72 179.69 3.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -136.85 116.03 12.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.752 HG21 HD21 ' A' ' 30' ' ' LEU . 84.9 t -82.4 120.82 34.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 92' ' ' LEU . 8.2 tp -91.71 133.7 35.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.6 ' N ' HD12 ' A' ' 91' ' ' LEU . 31.2 mt -125.97 145.36 50.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.466 ' O ' ' C ' ' A' ' 94' ' ' SER . 10.7 mttp -98.78 175.08 6.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.492 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 24.7 p -34.17 111.09 0.39 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.492 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.4 Cg_endo -75.02 122.42 8.18 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.998 0.029 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 24.9 t -59.76 133.4 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.463 ' CG ' ' N ' ' A' ' 98' ' ' PHE . 48.0 tt0 -167.31 163.68 15.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.725 ' C ' HD12 ' A' ' 99' ' ' ILE . 15.4 m-85 -134.99 157.19 47.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.922 HG23 HG21 ' A' ' 12' ' ' THR . 3.5 mp -127.45 164.82 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.544 ' O ' HG22 ' A' ' 12' ' ' THR . 2.4 mt-30 -126.73 81.82 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.559 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -84.15 176.06 51.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.468 ' HG3' ' CB ' ' A' ' 11' ' ' ALA . 11.6 mt-10 -134.25 174.44 10.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.502 ' H ' HG23 ' A' ' 85' ' ' ILE . 4.8 mt -145.63 107.25 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -91.86 134.69 34.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.409 ' CB ' ' HG2' ' A' ' 102' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.959 HG21 HG23 ' A' ' 99' ' ' ILE . 3.4 t -90.41 -34.02 15.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.823 HG13 HG23 ' A' ' 12' ' ' THR . 6.2 mt -139.51 143.24 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.97 118.95 15.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.345 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.796 ' HD2' HG12 ' A' ' 27' ' ' VAL . 4.7 m-85 -95.41 167.38 11.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 p -123.76 103.94 8.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 0.0 110.013 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.526 HG11 HG13 ' A' ' 27' ' ' VAL . 11.7 p . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.03 144.85 36.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.017 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' ' 27' ' ' VAL . 1.3 tp -75.47 113.33 12.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.796 HG12 ' HD2' ' A' ' 15' ' ' TYR . 45.1 t -82.19 -38.91 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.564 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 167.83 -173.54 42.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.403 ' C ' ' OH ' ' A' ' 15' ' ' TYR . 5.5 p30 -103.6 137.2 41.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.78 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.942 HD21 HG22 ' A' ' 90' ' ' VAL . 8.3 tp -104.29 -41.53 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.594 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -75.66 -46.63 30.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -15.29 62.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.55 -52.34 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.751 HD21 ' CD1' ' A' ' 13' ' ' ILE . 10.7 mt -87.85 13.28 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.29 23.92 60.61 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' ALA . 93.7 mt -85.36 173.1 10.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.34 146.92 36.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.782 ' O ' HD12 ' A' ' 42' ' ' ILE . 1.3 mm? -45.97 -58.59 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -41.59 -49.16 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -53.1 60.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.622 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -58.04 -26.02 61.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 1.178 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.782 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -76.81 -54.83 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.2 p -58.08 -50.06 74.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.402 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -68.42 -11.07 59.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 50.66 83.83 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.453 1.095 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.868 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -96.56 124.72 40.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.656 ' CD ' HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -130.46 156.93 43.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.332 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.632 HG21 ' HB3' ' A' ' 57' ' ' LEU . 14.0 mm -94.82 131.11 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.0 mt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.418 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 5.2 mp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.632 ' HB3' HG21 ' A' ' 48' ' ' ILE . 25.8 mt -115.8 151.06 35.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -155.32 112.1 3.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 46' ' ' ALA . 3.2 tp -87.52 119.43 27.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 2.2 mm-40 -49.89 -48.79 51.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.622 ' O ' HD11 ' A' ' 42' ' ' ILE . 3.3 tt0 86.01 -11.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.255 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -104.6 -33.17 8.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.351 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -98.01 -28.19 13.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.638 ' N ' HD11 ' A' ' 38' ' ' LEU . . . 79.94 53.3 4.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.487 ' O ' HD12 ' A' ' 59' ' ' LEU . 41.0 m-20 -147.02 169.43 19.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.696 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -99.97 121.09 40.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.541 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.5 mm? -114.99 129.76 56.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.682 HD22 HD21 ' A' ' 72' ' ' LEU . 7.8 mt -72.03 135.97 46.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.565 1.165 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -65.88 -60.39 2.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -140.0 -175.09 4.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.8 ttpp -65.92 111.56 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.682 HD21 HD22 ' A' ' 68' ' ' LEU . 1.1 mm? . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.536 ' CB ' HD22 ' A' ' 105' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.59 HG21 ' HB3' ' A' ' 102' ' ' GLU . 36.2 mt -87.35 138.44 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.4 153.79 33.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.506 ' CE1' ' O ' ' A' ' 85' ' ' ILE . 0.8 OUTLIER -115.39 111.8 21.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.649 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.583 ' CE1' ' O ' ' A' ' 101' ' ' GLY . 18.7 p90 -140.73 174.55 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -154.24 137.42 15.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.942 HG22 HD21 ' A' ' 30' ' ' LEU . 40.5 t -90.08 109.33 20.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.822 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 5.5 tp -86.49 137.73 32.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 91' ' ' LEU . 93.8 mt -131.19 150.58 52.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.48 ' O ' ' C ' ' A' ' 94' ' ' SER . 17.5 mttt -100.23 176.52 5.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 93' ' ' LYS . 42.2 p -33.02 109.92 0.33 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.0 122.43 8.19 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.989 -2.505 . . . . 0.0 111.022 0.024 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.5 t -62.14 128.85 24.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -163.04 158.23 21.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.822 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 48.2 m-85 -133.31 157.93 44.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.959 HG23 HG21 ' A' ' 12' ' ' THR . 3.8 mp -125.11 164.77 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.609 ' O ' HG22 ' A' ' 12' ' ' THR . 9.2 mt-30 -124.54 79.44 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.583 ' O ' ' CE1' ' A' ' 88' ' ' PHE . . . -99.38 145.47 17.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.59 ' HB3' HG21 ' A' ' 85' ' ' ILE . 43.8 mm-40 -109.82 170.26 8.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.544 ' H ' HG23 ' A' ' 85' ' ' ILE . 9.9 mt -129.02 111.51 23.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 15' ' ' TYR . 78.7 mt-30 -73.59 134.91 43.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.536 HD22 ' CB ' ' A' ' 84' ' ' CYS . 2.4 tp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.97 HG23 HG13 ' A' ' 13' ' ' ILE . 6.0 t -103.03 -29.2 11.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.371 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.97 HG13 HG23 ' A' ' 12' ' ' THR . 10.3 mt -134.97 150.75 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -135.99 117.91 15.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.393 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.821 ' CD2' HG12 ' A' ' 27' ' ' VAL . 6.3 m-85 -98.77 168.35 10.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.1 p -131.94 118.69 20.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.44 ' CB ' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -83.96 133.28 34.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.986 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.497 HD12 ' H ' ' A' ' 28' ' ' GLY . 3.2 tp -69.11 111.6 5.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.821 HG12 ' CD2' ' A' ' 15' ' ' TYR . 47.1 t -83.11 -36.81 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.497 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 160.4 -175.49 37.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 2.1 m120 -98.93 141.78 31.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.83 HD21 HG22 ' A' ' 90' ' ' VAL . 12.9 tp -107.57 -56.5 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.543 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -59.95 -48.02 83.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -67.38 -35.27 78.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.503 ' OD2' HG21 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -49.92 -51.53 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.798 HD21 HD11 ' A' ' 13' ' ' ILE . 18.4 mt -90.13 20.08 4.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.37 26.55 9.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' ALA . 88.3 mt -86.03 177.63 7.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 t -112.16 144.86 40.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.879 HD21 ' O ' ' A' ' 63' ' ' SER . 2.4 mm? -42.37 -63.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.814 ' O ' HG23 ' A' ' 43' ' ' THR . 7.6 ttp180 -41.13 -55.26 2.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -51.26 -46.21 62.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.803 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -65.91 -22.54 66.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -85.17 -51.47 13.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.814 HG23 ' O ' ' A' ' 39' ' ' ARG . 52.3 p -50.59 -48.44 57.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.38 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 45' ' ' GLY . 53.0 mtm-85 -85.23 11.05 10.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' ARG . . . 36.55 82.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.803 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -92.8 126.4 37.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.747 ' CD ' HD23 ' A' ' 91' ' ' LEU . 8.6 pt20 -130.87 165.63 22.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.967 HG21 ' HB3' ' A' ' 57' ' ' LEU . 24.5 mm -98.07 137.88 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 48' ' ' ILE . 14.7 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.967 ' HB3' HG21 ' A' ' 48' ' ' ILE . 9.8 mt -133.84 151.54 51.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.09 123.74 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 46' ' ' ALA . 14.0 tp -84.25 119.19 24.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 2.3 tt0 -42.35 -61.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.646 ' O ' HD12 ' A' ' 38' ' ' LEU . 0.7 OUTLIER 86.9 -43.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.79 2.15 24.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.879 ' O ' HD21 ' A' ' 38' ' ' LEU . 3.5 m -145.66 -46.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.92 53.98 0.83 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.422 ' O ' HD22 ' A' ' 67' ' ' LEU . 76.0 m-80 -137.35 151.99 49.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.362 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.831 HD23 HD22 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -92.74 102.8 15.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.611 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.6 mm? -100.25 147.45 25.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.736 HD13 HD21 ' A' ' 72' ' ' LEU . 12.6 mt -79.4 136.32 36.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.444 ' CD ' ' HG2' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -51.62 -44.18 62.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.444 ' HG2' ' CD ' ' A' ' 69' ' ' LYS . 4.9 pt-20 -176.03 -174.56 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -49.59 127.69 16.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.736 HD21 HD13 ' A' ' 68' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.433 ' O ' ' CE1' ' A' ' 87' ' ' HIS . 72.8 mt -121.93 129.96 74.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.459 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -72.31 152.59 42.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.433 ' CE1' ' O ' ' A' ' 85' ' ' ILE . 0.9 OUTLIER -115.13 116.0 27.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.579 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.408 ' O ' ' HG3' ' A' ' 89' ' ' GLN . 12.7 p90 -147.42 163.33 36.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 88' ' ' PHE . 8.5 mt-30 -141.88 137.74 31.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.83 HG22 HD21 ' A' ' 30' ' ' LEU . 12.0 t -86.21 113.63 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.747 HD23 ' CD ' ' A' ' 47' ' ' GLN . 11.2 tp -88.51 134.92 33.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 91' ' ' LEU . 23.9 mt -125.72 146.63 49.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 94' ' ' SER . 13.1 mttt -97.47 175.29 6.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 93' ' ' LYS . 24.7 p -34.97 111.9 0.43 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.3 Cg_endo -75.01 122.61 8.34 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.979 -0.039 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.1 t -57.63 130.71 20.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.135 . . . . 0.0 109.359 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 98' ' ' PHE . 46.6 tt0 -159.25 152.01 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.695 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 51.1 m-85 -129.35 158.49 38.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.887 HG23 HG21 ' A' ' 12' ' ' THR . 4.7 mp -134.09 164.83 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.601 ' O ' HG22 ' A' ' 12' ' ' THR . 6.0 mt-30 -127.95 85.05 2.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -87.51 -170.44 46.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -148.35 162.08 40.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.74 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.477 HD11 HD11 ' A' ' 57' ' ' LEU . 9.3 mt -131.6 101.94 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -89.47 150.48 22.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.333 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.954 HG21 HG23 ' A' ' 99' ' ' ILE . 2.8 t -98.14 -33.3 11.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.747 HG13 HG23 ' A' ' 12' ' ' THR . 14.9 mt -134.37 151.62 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -135.78 124.83 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.887 ' CD2' HG12 ' A' ' 27' ' ' VAL . 8.9 m-85 -107.35 166.48 10.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.9 p -132.39 113.4 13.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.96 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 105' ' ' LEU . 7.1 p . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.636 ' CB ' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -81.51 134.83 35.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.785 . . . . 0.0 110.012 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 27' ' ' VAL . 2.8 tp -68.92 112.82 5.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.887 HG12 ' CD2' ' A' ' 15' ' ' TYR . 34.8 t -86.0 -37.58 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.448 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 162.58 -165.29 36.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.415 ' O ' ' OH ' ' A' ' 15' ' ' TYR . 8.9 m-20 -108.83 143.84 37.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.818 HD21 HG22 ' A' ' 90' ' ' VAL . 13.2 tp -111.28 -42.87 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.86 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -82.74 -41.75 18.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -73.78 -15.2 61.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.406 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -66.73 -76.27 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.462 HD21 ' CD1' ' A' ' 13' ' ' ILE . 4.5 mm? -62.63 -14.59 45.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.09 16.45 53.97 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.3 mt -73.97 166.78 22.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.7 m -103.19 151.27 22.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.754 HD21 ' O ' ' A' ' 63' ' ' SER . 2.6 mm? -49.98 -57.61 7.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -36.98 -52.91 0.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.63 -52.47 65.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.86 ' HG ' ' HB2' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -55.37 -25.63 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.625 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -83.6 -60.43 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.4 p -55.65 -39.23 70.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -80.41 4.17 18.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 39.12 73.68 0.16 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.758 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -94.67 124.17 38.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.574 ' CD ' HD23 ' A' ' 91' ' ' LEU . 8.6 pt20 -132.96 169.3 16.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.871 HG21 ' HB3' ' A' ' 57' ' ' LEU . 18.2 mm -101.1 137.86 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.871 ' HB3' HG21 ' A' ' 48' ' ' ILE . 12.2 mt -148.57 145.97 28.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.05 110.4 3.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.274 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.57 137.82 31.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.601 ' OE2' HD21 ' A' ' 67' ' ' LEU . 14.4 pt-20 -98.18 111.94 24.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.4 -0.07 21.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -13.48 57.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.754 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -141.38 -52.67 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.74 57.71 0.4 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -138.0 152.29 48.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.685 HD23 HD22 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -95.04 107.23 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.601 HD21 ' OE2' ' A' ' 60' ' ' GLU . 1.7 mm? -103.04 155.76 18.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.636 HD12 ' CB ' ' A' ' 25' ' ' SER . 5.1 mt -88.15 142.46 27.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -62.85 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -157.2 -173.98 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -48.82 123.9 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.628 HD22 ' H ' ' A' ' 72' ' ' LEU . 1.1 mm? . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.422 HG23 ' H ' ' A' ' 103' ' ' ILE . 68.2 mt -119.45 134.6 62.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.465 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -74.0 153.13 39.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -113.84 114.19 25.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.621 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.412 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 8.6 p90 -146.66 171.5 15.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 99' ' ' ILE . 2.7 mp0 -154.81 136.31 14.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.818 HG22 HD21 ' A' ' 30' ' ' LEU . 15.6 t -85.49 113.5 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.576 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 4.5 tp -88.21 136.89 32.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 91' ' ' LEU . 92.6 mt -125.63 147.78 49.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 94' ' ' SER . 34.6 mttt -100.79 173.15 6.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 93' ' ' LYS . 39.0 p -33.98 110.89 0.38 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.004 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.05 122.74 8.45 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.978 0.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.0 t -57.38 140.1 16.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -168.47 146.08 4.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.576 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 54.7 m-85 -125.7 154.05 42.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.954 HG23 HG21 ' A' ' 12' ' ' THR . 4.2 mp -128.96 165.21 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.63 ' O ' HG22 ' A' ' 12' ' ' THR . 5.2 mt-30 -132.64 86.35 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.345 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.412 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -89.92 -174.42 45.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -140.79 155.31 46.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 110.332 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.465 ' HB ' ' CB ' ' A' ' 86' ' ' LEU . 8.9 mt -125.82 103.1 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -89.91 154.05 20.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 1.2 tp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.666 ' HB2' ' OE2' ' A' ' 102' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.965 HG23 HG13 ' A' ' 13' ' ' ILE . 4.2 t -99.09 -33.18 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.442 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.965 HG13 HG23 ' A' ' 12' ' ' THR . 5.1 mt -133.37 143.51 38.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 p -137.27 115.03 11.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.799 ' HD2' HG12 ' A' ' 27' ' ' VAL . 3.5 m-85 -97.86 169.06 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.7 p -128.54 115.79 18.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.005 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.45 138.74 44.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 109.987 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.625 HD12 ' H ' ' A' ' 28' ' ' GLY . 3.6 tp -70.53 111.32 5.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.799 HG12 ' HD2' ' A' ' 15' ' ' TYR . 48.3 t -80.5 -33.28 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.625 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 157.65 168.29 19.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.456 ' C ' ' HH ' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -93.1 139.77 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.945 HD21 HG21 ' A' ' 90' ' ' VAL . 7.8 tp -104.4 -54.51 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.578 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -60.41 -31.91 70.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -81.44 -34.41 31.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.12 -68.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.504 HD21 ' CD1' ' A' ' 13' ' ' ILE . 4.3 mm? -62.78 -16.15 56.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.37 10.78 70.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' ALA . 27.3 mt -74.02 163.69 27.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.8 m -99.25 142.78 30.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.588 1.18 . . . . 0.0 110.048 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 61' ' ' GLN . 1.6 mm? -41.23 -58.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -39.61 -54.88 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -54.59 -53.55 53.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 0.0 110.295 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.585 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -57.01 -47.08 81.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mt -55.41 -58.88 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.1 p -52.89 -53.15 53.34 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 -64.17 -15.66 60.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.18 76.31 0.2 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.86 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -94.03 125.42 38.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.634 ' CD ' HD23 ' A' ' 91' ' ' LEU . 16.1 pt20 -129.24 158.23 39.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.511 HG21 ' CB ' ' A' ' 57' ' ' LEU . 9.4 mm -92.77 130.71 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.0 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.32 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.688 HD21 HG21 ' A' ' 27' ' ' VAL . 20.3 mt -117.74 160.18 21.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.37 103.35 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.86 HD23 ' O ' ' A' ' 46' ' ' ALA . 15.1 tp -78.69 99.5 6.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.455 ' HG2' ' CD2' ' A' ' 67' ' ' LEU . 15.4 pt-20 -48.54 -38.26 19.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.547 ' O ' HD12 ' A' ' 38' ' ' LEU . 1.2 tt0 74.38 3.33 4.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -81.72 -45.56 15.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.419 ' C ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -124.0 5.02 8.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.028 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.16 47.37 59.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.593 ' ND2' HD22 ' A' ' 26' ' ' LEU . 13.3 m-20 -119.41 149.98 40.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.763 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -92.3 119.08 31.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.455 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 2.2 mm? -111.65 140.07 46.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.625 HD22 HD21 ' A' ' 72' ' ' LEU . 12.4 mt -81.58 143.45 31.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.409 ' CE ' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -74.91 -42.81 57.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -162.72 -175.6 4.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.65 116.06 3.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.625 HD21 HD22 ' A' ' 68' ' ' LEU . 1.5 mm? . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.63 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 103' ' ' ILE . 86.9 mt -135.24 138.55 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.469 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -71.71 149.3 45.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -107.21 110.66 22.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.577 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.581 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 4.2 p90 -148.81 169.22 20.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -150.9 163.66 38.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.945 HG21 HD21 ' A' ' 30' ' ' LEU . 42.1 t -109.72 115.02 48.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.718 HD13 ' CE1' ' A' ' 98' ' ' PHE . 8.4 tp -86.6 134.81 33.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.579 ' N ' HD12 ' A' ' 91' ' ' LEU . 95.5 mt -124.82 146.83 49.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 94' ' ' SER . 0.4 OUTLIER -99.27 175.19 5.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.351 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 93' ' ' LYS . 35.5 p -34.88 111.53 0.42 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.02 122.77 8.47 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.99 0.037 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.1 t -57.31 132.67 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.404 ' HG2' ' N ' ' A' ' 98' ' ' PHE . 52.5 tt0 -163.08 159.29 23.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.718 ' CE1' HD13 ' A' ' 91' ' ' LEU . 90.9 m-85 -137.01 155.52 49.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.943 HG23 HG21 ' A' ' 12' ' ' THR . 3.8 mp -125.38 164.67 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.588 ' O ' HG22 ' A' ' 12' ' ' THR . 21.5 mt-30 -118.55 78.9 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.581 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -80.48 164.69 47.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.666 ' OE2' ' HB2' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -137.07 153.86 50.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.567 ' O ' HG23 ' A' ' 85' ' ' ILE . 11.2 mt -125.91 101.48 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 15' ' ' TYR . 4.6 mt-30 -77.07 120.54 22.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.63 HD23 ' O ' ' A' ' 84' ' ' CYS . 4.6 mm? . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.354 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m -160.11 144.99 14.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 110.009 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -153.96 79.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.43 -150.26 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.43 141.66 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.43 160.43 0.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.37 126.19 1.55 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.53 167.79 28.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.79 111.93 2.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.34 -54.68 3.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.95 130.79 22.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 1.036 HG23 HG13 ' A' ' 13' ' ' ILE . 5.3 t -108.84 -32.35 7.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.407 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 1.036 HG13 HG23 ' A' ' 12' ' ' THR . 9.6 mt -127.81 147.72 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 p -136.28 116.87 13.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 110.431 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.839 ' HD2' HG12 ' A' ' 27' ' ' VAL . 4.4 m-85 -97.23 168.59 10.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.4 p -126.71 122.08 33.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.99 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.72 HG21 HG21 ' A' ' 21' ' ' THR . 8.9 p -162.25 142.09 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.94 -156.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.684 ' HB3' HD11 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -113.7 -28.0 7.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 2.0 pt-20 -97.02 21.86 9.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.72 HG21 HG21 ' A' ' 17' ' ' VAL . 1.7 m -40.75 129.3 2.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.386 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -75.33 161.65 29.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -75.22 128.26 35.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.67 14.49 56.68 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.61 140.88 29.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.983 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.751 HD22 ' ND2' ' A' ' 65' ' ' ASN . 2.2 tp -73.67 112.9 10.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.839 HG12 ' HD2' ' A' ' 15' ' ' TYR . 79.6 t -75.2 -45.82 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.508 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 174.74 -179.65 45.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' A' ' 64' ' ' GLY . 42.5 m-80 -97.92 140.72 31.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.757 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.641 HD21 ' CG2' ' A' ' 90' ' ' VAL . 9.1 tp -110.47 -50.25 2.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.483 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -69.26 -31.51 70.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.7 -24.09 25.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.405 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -62.53 -63.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.803 HD21 HD11 ' A' ' 13' ' ' ILE . 12.9 mt -67.03 -11.31 56.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.63 11.25 80.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 mt -79.45 175.04 10.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 0.793 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.5 t -105.99 147.37 28.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.947 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.802 ' O ' HD12 ' A' ' 42' ' ' ILE . 3.4 mm? -44.09 -51.23 8.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.88 ' O ' HG23 ' A' ' 43' ' ' THR . 0.0 OUTLIER -46.99 -55.58 7.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.259 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -54.04 -40.72 67.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.862 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -70.8 -30.9 67.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.802 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -76.11 -54.74 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.88 HG23 ' O ' ' A' ' 39' ' ' ARG . 68.7 p -49.55 -48.61 48.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.374 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -87.12 13.63 9.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 36.41 89.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.862 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -98.77 119.76 38.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.57 172.27 11.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.664 HG21 ' CB ' ' A' ' 57' ' ' LEU . 16.0 mm -102.99 132.44 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.7 mt -113.71 106.26 14.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.361 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 t -136.55 116.12 12.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.468 ' HE3' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 68.25 157.62 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.13 -59.94 5.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -109.28 134.89 51.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.776 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.0 mttt 67.51 112.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -95.31 145.25 25.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.501 HD22 HD21 ' A' ' 77' ' ' LEU . 4.6 mp -97.76 16.43 20.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.664 ' CB ' HG21 ' A' ' 48' ' ' ILE . 75.4 mt -147.01 153.62 40.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -154.75 103.17 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.659 HD23 ' O ' ' A' ' 46' ' ' ALA . 22.8 tp -78.56 107.18 11.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.452 ' HG2' ' CD2' ' A' ' 67' ' ' LEU . 7.6 pt-20 -52.53 -33.68 46.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 46' ' ' ALA . 23.0 mt-30 66.8 26.1 9.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -106.33 -48.03 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.432 ' C ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -123.89 0.12 8.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 29' ' ' ASN . . . 75.38 57.52 4.24 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.751 ' ND2' HD22 ' A' ' 26' ' ' LEU . 30.7 m-20 -130.35 131.92 45.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.787 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.802 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -78.97 122.89 26.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.684 HD22 ' O ' ' A' ' 65' ' ' ASN . 1.7 mm? -110.25 139.42 45.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.646 HD23 HD23 ' A' ' 57' ' ' LEU . 79.1 mt -80.92 144.42 31.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.62 -60.87 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.34 -175.66 4.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -74.78 116.38 15.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.446 ' CD2' ' HB ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -47.83 173.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.475 ' O ' ' CB ' ' A' ' 74' ' ' ARG . 0.2 OUTLIER -115.7 -71.37 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.475 ' CB ' ' O ' ' A' ' 73' ' ' ASP . 0.2 OUTLIER 159.71 -82.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.348 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -57.47 -37.35 72.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -46.06 -47.27 17.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.501 HD21 HD22 ' A' ' 56' ' ' LEU . 4.4 mt -91.08 -73.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.9 p -148.2 -59.74 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 108.303 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.69 95.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.63 -58.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 109.955 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.9 m -38.5 150.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.461 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 0.3 OUTLIER -111.81 158.11 37.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.2 Cg_endo -74.97 -13.61 23.46 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.029 -0.024 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.543 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.5 OUTLIER 81.42 68.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 108.302 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.435 HG23 ' O ' ' A' ' 103' ' ' ILE . 88.5 mt -125.73 134.97 65.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.5 HD22 HD12 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -71.91 150.25 44.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -110.13 112.41 24.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.604 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.546 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 4.5 p90 -148.53 172.1 15.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -153.6 143.47 21.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.641 ' CG2' HD21 ' A' ' 30' ' ' LEU . 98.7 t -88.61 116.83 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.555 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 5.3 tp -93.13 136.89 32.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 97' ' ' GLN . 70.9 mt -127.46 146.82 50.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 94' ' ' SER . 13.1 mttt -97.37 175.43 6.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 93' ' ' LYS . 42.3 p -35.12 111.66 0.44 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.035 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.1 Cg_endo -75.11 122.65 8.39 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.967 0.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 24.0 t -56.67 126.83 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.564 ' HB3' HD12 ' A' ' 92' ' ' LEU . 3.8 tm0? -152.97 153.44 32.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.572 ' C ' HD12 ' A' ' 99' ' ' ILE . 72.4 m-85 -135.93 148.5 48.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.928 HG23 HG21 ' A' ' 12' ' ' THR . 3.8 mp -124.16 159.75 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.699 ' O ' HG22 ' A' ' 12' ' ' THR . 8.5 mt-30 -113.47 81.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.546 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -81.7 -177.74 51.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -155.87 155.85 33.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.756 . . . . 0.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.5 HD12 HD22 ' A' ' 86' ' ' LEU . 10.2 mt -123.26 109.86 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -90.97 144.3 25.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.684 HD11 ' HB3' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -69.4 144.22 53.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.75 81.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 105' ' ' LEU . 1.5 m-20 -102.12 53.18 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.9 t -83.98 115.17 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -175.15 66.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 112' ' ' ALA . 24.8 t0 -163.97 -48.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.476 ' O ' ' HB3' ' A' ' 112' ' ' ALA . 0.2 OUTLIER 67.63 -70.62 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.572 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 111' ' ' HIS . . . 70.38 149.34 0.12 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 142.96 28.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -167.22 147.99 5.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -176.6 88.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.44 162.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -152.78 142.83 22.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.3 t0 179.41 106.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.53 141.73 23.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.33 122.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 110.049 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -178.1 112.14 0.36 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.1 . . . . 0.0 111.041 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -177.69 3.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.0 p -164.68 152.26 11.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.036 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.89 154.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.568 1.168 . . . . 0.0 110.981 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t 75.39 -59.85 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m 60.86 158.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.037 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.07 90.57 0.08 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.3 p -167.31 169.92 12.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 0.75 . . . . 0.0 110.012 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.77 130.49 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.89 177.43 19.72 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.84 -58.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.07 -164.82 7.57 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.46 1.1 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.2 t -162.52 -52.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 110.055 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.94 130.06 36.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.95 HG21 HG23 ' A' ' 99' ' ' ILE . 3.6 t -97.36 -32.75 11.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.408 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.869 HG13 HG23 ' A' ' 12' ' ' THR . 9.0 mt -135.44 149.87 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.6 p -135.54 116.88 14.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.348 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.857 ' HD2' HG12 ' A' ' 27' ' ' VAL . 4.2 m-85 -96.87 162.16 13.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.6 p -131.12 106.4 8.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.651 ' CG2' HG21 ' A' ' 21' ' ' THR . 2.4 p -133.08 125.9 52.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.24 -164.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.247 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.466 ' OE1' HD11 ' A' ' 105' ' ' LEU . 1.1 pm0 -100.1 -25.98 14.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -78.11 59.73 2.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.651 HG21 ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -103.58 127.59 50.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.397 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.12 156.5 46.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.97 103.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.53 44.86 0.88 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.655 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -123.54 137.67 54.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 110.004 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 27' ' ' VAL . 2.3 tp -81.28 112.7 18.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.857 HG12 ' HD2' ' A' ' 15' ' ' TYR . 56.5 t -77.14 -42.7 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.451 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 169.18 179.65 41.29 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -93.03 139.26 30.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.809 HD21 HG22 ' A' ' 90' ' ' VAL . 9.9 tp -107.94 -63.28 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.61 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -61.58 -36.44 80.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.16 -20.15 52.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.464 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -70.96 -47.68 57.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.79 HD21 HD11 ' A' ' 13' ' ' ILE . 37.8 mt -89.12 12.9 14.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.69 14.44 29.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.61 HD22 ' NH2' ' A' ' 44' ' ' ARG . 40.4 mt -77.01 168.53 19.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -105.84 149.04 26.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.032 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.919 HD21 ' O ' ' A' ' 63' ' ' SER . 1.5 mm? -48.11 -60.32 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -41.98 -47.55 4.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -48.79 80.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.255 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.802 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -63.66 -26.54 68.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.746 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.1 mp -79.39 -52.85 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.9 p -54.98 -46.17 75.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.433 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.61 ' NH2' HD22 ' A' ' 36' ' ' LEU . 25.6 mtm180 -83.09 5.61 21.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 44' ' ' ARG . . . 40.7 93.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.864 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -101.58 132.52 47.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.488 ' CD ' HD23 ' A' ' 91' ' ' LEU . 9.2 pt20 -138.82 163.52 32.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.649 HG21 ' HB3' ' A' ' 57' ' ' LEU . 20.3 mm -98.75 131.51 45.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 88' ' ' PHE . 16.6 mt -113.46 107.7 16.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.12 127.01 27.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.962 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.69 143.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -42.53 -76.69 0.1 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -124.0 96.27 4.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.54 -63.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 60.89 104.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 mp -98.38 3.32 48.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.649 ' HB3' HG21 ' A' ' 48' ' ' ILE . 18.9 mt -120.78 158.16 28.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -154.77 114.08 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.864 HD23 ' O ' ' A' ' 46' ' ' ALA . 4.9 tp -80.59 113.54 18.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -39.99 -55.56 2.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.63 ' O ' HD12 ' A' ' 38' ' ' LEU . 1.9 tt0 86.09 -47.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -73.56 -18.86 61.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.919 ' O ' HD21 ' A' ' 38' ' ' LEU . 1.6 m -116.18 -47.93 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.948 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.513 ' CA ' HD11 ' A' ' 38' ' ' LEU . . . 103.11 42.66 2.03 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.039 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.459 ' O ' HD22 ' A' ' 67' ' ' LEU . 48.1 m-20 -130.59 156.42 44.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.777 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.482 ' CD2' HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -91.1 108.58 19.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.477 ' CD2' ' HB2' ' A' ' 60' ' ' GLU . 2.4 mm? -102.54 149.48 24.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.655 HD12 ' HB3' ' A' ' 25' ' ' SER . 3.6 mt -89.55 168.44 12.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.8 -54.28 3.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -153.62 175.08 13.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -50.59 133.93 24.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.611 HD22 ' H ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -80.56 90.28 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.4 103.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 78' ' ' CYS . 0.2 OUTLIER -59.86 -43.11 94.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.262 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -58.04 -58.87 6.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -49.15 -59.39 3.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.24 -75.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 74' ' ' ARG . 1.8 p -172.03 100.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 108.337 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 80' ' ' SER . . . -46.88 110.33 0.53 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' GLY . 0.2 OUTLIER 37.31 81.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.979 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.429 ' CB ' ' HB2' ' A' ' 78' ' ' CYS . 51.8 m -131.22 165.43 23.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.48 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 17.8 p30 -135.5 147.56 62.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.48 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.4 Cg_endo -74.95 -29.26 6.87 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.01 -0.054 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 71.03 75.98 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 108.292 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.473 HG23 ' H ' ' A' ' 103' ' ' ILE . 83.5 mt -106.84 131.59 56.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.597 HD23 ' N ' ' A' ' 87' ' ' HIS . 2.4 tt -73.32 151.01 41.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.597 ' N ' HD23 ' A' ' 86' ' ' LEU . 1.4 p80 -110.87 113.42 25.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.547 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 49' ' ' LEU . 11.1 p90 -143.19 171.42 14.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.28 138.67 17.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.809 HG22 HD21 ' A' ' 30' ' ' LEU . 11.4 t -87.93 113.89 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.834 HD13 ' CE2' ' A' ' 98' ' ' PHE . 9.8 tp -91.33 135.68 33.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.48 ' N ' HD12 ' A' ' 91' ' ' LEU . 97.7 mt -128.42 147.48 50.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 94' ' ' SER . 10.1 mttm -99.26 175.35 5.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.488 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 87.2 p -33.34 110.3 0.35 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.488 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.3 Cg_endo -75.03 122.98 8.64 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.965 -2.515 . . . . 0.0 110.978 -0.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 16.6 t -60.28 137.97 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -170.52 145.17 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.338 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.834 ' CE2' HD13 ' A' ' 91' ' ' LEU . 87.5 m-85 -123.95 158.84 31.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.95 HG23 HG21 ' A' ' 12' ' ' THR . 4.4 mp -131.41 165.48 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.51 ' O ' HG22 ' A' ' 12' ' ' THR . 5.5 mt-30 -131.85 80.49 1.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.16 -168.41 44.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -147.47 161.49 40.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 110.267 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.473 ' H ' HG23 ' A' ' 85' ' ' ILE . 5.4 mt -130.6 105.25 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -92.11 140.05 30.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.466 HD11 ' OE1' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -90.7 129.28 36.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -58.52 127.22 31.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.23 139.66 37.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 108' ' ' VAL . 5.0 t -89.48 96.65 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 34.4 t30 177.38 164.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -82.39 111.25 18.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.22 166.55 29.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.585 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -178.02 150.14 0.74 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.464 ' O ' ' CG ' ' A' ' 114' ' ' GLU . 18.1 Cg_endo -75.0 158.65 42.08 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 113' ' ' PRO . 0.6 OUTLIER 174.6 80.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -173.59 135.7 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.14 140.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 177.72 149.56 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -172.87 139.65 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 178.91 167.84 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 t 68.79 149.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -156.85 -178.22 30.73 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 161.07 39.35 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.494 1.786 . . . . 0.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -162.02 149.48 14.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.58 169.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.409 1.068 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 p -128.87 170.92 12.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 0.749 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 p -106.04 169.47 8.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.53 -146.43 13.53 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.29 171.48 14.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.754 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -122.97 171.13 9.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.041 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.26 -159.51 9.34 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.469 1.106 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.59 171.96 4.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.18 160.03 9.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.69 -62.66 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 110.012 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.96 130.53 18.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.981 HG23 HG13 ' A' ' 13' ' ' ILE . 5.9 t -102.46 -32.04 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.981 HG13 HG23 ' A' ' 12' ' ' THR . 14.0 mt -128.89 150.23 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -135.75 117.03 14.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.806 ' HD2' HG12 ' A' ' 27' ' ' VAL . 2.9 m-85 -101.53 163.86 12.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.8 p -122.0 115.42 22.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.727 ' CG2' HG21 ' A' ' 21' ' ' THR . 5.4 p -160.73 148.72 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -165.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.03 -25.25 11.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.59 25.35 11.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.727 HG21 ' CG2' ' A' ' 17' ' ' VAL . 1.7 m -43.17 128.75 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.405 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.469 ' O ' HD12 ' A' ' 68' ' ' LEU . 16.5 t70 -62.38 163.5 8.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -78.81 143.14 36.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.73 22.74 68.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.6 147.25 25.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.856 HD22 ' ND2' ' A' ' 65' ' ' ASN . 1.3 tp -79.64 113.67 17.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.806 HG12 ' HD2' ' A' ' 15' ' ' TYR . 39.4 t -73.27 -47.96 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.528 ' CA ' ' CE2' ' A' ' 15' ' ' TYR . . . 175.46 174.8 42.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' OD1' ' OD1' ' A' ' 65' ' ' ASN . 26.8 m-20 -89.16 130.53 35.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 0.76 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.92 HD13 HD11 ' A' ' 66' ' ' LEU . 1.1 tp -101.82 -61.67 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.468 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -52.27 -42.46 63.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -40.94 65.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -45.23 -62.24 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.826 HD21 HD11 ' A' ' 13' ' ' ILE . 11.7 mt -69.67 -23.34 63.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.97 16.64 53.94 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.427 1.079 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 77.8 mt -84.87 144.49 28.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 0.725 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 m -73.96 143.91 45.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.615 ' O ' HD12 ' A' ' 42' ' ' ILE . 1.2 mm? -40.99 -59.93 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.851 ' O ' HG23 ' A' ' 43' ' ' THR . 2.9 ttp180 -38.41 -54.76 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.69 -53.52 46.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.869 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -58.73 -25.11 62.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.615 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -81.15 -55.62 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.851 HG23 ' O ' ' A' ' 39' ' ' ARG . 44.4 p -53.56 -44.93 69.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' GLY . 54.0 mtp180 -83.75 6.8 19.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.246 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 44' ' ' ARG . . . 36.78 91.8 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.869 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -101.34 127.62 47.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.616 ' HG3' HD23 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -135.7 159.37 41.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.614 HG21 ' CB ' ' A' ' 57' ' ' LEU . 12.7 mm -94.26 129.92 43.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 49' ' ' LEU . 13.2 mt -110.9 107.5 16.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 m -135.97 127.53 28.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mttt 59.71 157.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.21 -60.45 5.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.094 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.53 133.55 53.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.52 96.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -76.13 158.96 31.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.526 HD23 HD12 ' A' ' 72' ' ' LEU . 4.4 mp -111.06 12.88 21.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.682 HD23 HD23 ' A' ' 68' ' ' LEU . 93.1 mt -147.86 154.96 41.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -155.12 107.24 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 46' ' ' ALA . 29.5 tp -79.56 98.28 6.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.485 ' HG2' ' CD2' ' A' ' 67' ' ' LEU . 9.0 pt-20 -46.16 -29.13 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 62.91 26.31 15.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -106.43 -49.06 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.72 13.95 7.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.05 57.15 18.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.856 ' ND2' HD22 ' A' ' 26' ' ' LEU . 28.4 m-20 -128.24 135.62 49.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.753 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.92 HD11 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -83.1 122.98 29.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.562 HD22 ' O ' ' A' ' 65' ' ' ASN . 1.6 mm? -112.73 138.53 49.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.682 HD23 HD23 ' A' ' 57' ' ' LEU . 12.4 mt -80.16 143.47 33.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.53 -55.33 8.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -146.42 -177.24 5.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -65.68 110.94 2.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.627 HD22 ' H ' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -56.31 136.7 53.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.906 ' O ' HD12 ' A' ' 77' ' ' LEU . 6.7 m-20 -74.25 143.68 44.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -85.42 -73.31 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -48.82 -57.45 6.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -39.15 -64.8 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.906 HD12 ' O ' ' A' ' 73' ' ' ASP . 11.1 mt -65.93 -77.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.43 96.08 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 108.317 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -37.49 -44.57 1.25 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.46 97.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.501 HG23 ' N ' ' A' ' 82' ' ' ASN . 0.7 OUTLIER -154.69 -177.38 6.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.366 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.501 ' N ' HG23 ' A' ' 81' ' ' THR . 0.7 OUTLIER -143.16 155.27 61.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.4 Cg_endo -75.02 -20.19 16.79 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.008 -2.496 . . . . 0.0 110.991 0.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.6 t 64.97 67.73 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 108.328 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.428 HG23 ' O ' ' A' ' 103' ' ' ILE . 54.0 mt -102.59 133.33 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.05 148.29 45.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -106.12 113.88 27.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.581 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.558 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.8 p90 -147.57 172.99 13.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 88' ' ' PHE . 10.1 mp0 -154.15 152.56 30.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.349 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.523 HG21 HD21 ' A' ' 30' ' ' LEU . 61.5 t -100.34 110.02 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.717 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 3.6 tp -84.8 137.7 33.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.488 ' N ' HD12 ' A' ' 91' ' ' LEU . 95.1 mt -128.25 148.46 50.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.488 ' O ' ' C ' ' A' ' 94' ' ' SER . 21.5 mttm -100.63 174.02 6.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 93' ' ' LYS . 89.4 p -32.11 109.6 0.3 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.3 Cg_endo -75.04 123.69 9.36 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.991 0.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.8 t -61.46 134.86 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -170.99 152.09 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.717 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 18.8 m-85 -128.2 156.24 43.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.939 HG23 HG21 ' A' ' 12' ' ' THR . 3.8 mp -123.04 163.16 22.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.723 ' O ' HG22 ' A' ' 12' ' ' THR . 7.0 mt-30 -117.65 81.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.558 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -83.59 -177.8 51.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -151.04 153.91 36.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.558 HG23 HG12 ' A' ' 17' ' ' VAL . 19.0 mt -125.27 104.36 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 15' ' ' TYR . 20.8 mt-30 -76.34 149.36 37.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 tp -83.83 123.64 30.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -39.31 106.77 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 110.34 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.48 141.7 43.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.1 p -40.39 159.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -171.0 -53.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -177.84 137.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.74 58.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.621 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -177.79 148.88 0.7 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.254 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.53 19.1 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.439 1.758 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.19 138.35 14.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.406 ' O ' ' CB ' ' A' ' 116' ' ' MET . 2.4 t80 -132.18 -42.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.406 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER 75.17 135.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -154.32 133.42 12.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 176.52 142.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -171.24 164.91 7.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.56 167.3 15.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.011 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 163.94 108.88 0.22 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.52 12.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.58 142.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.949 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.42 168.36 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.442 1.089 . . . . 0.0 110.969 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.0 p -177.6 163.34 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.74 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.9 p -170.54 173.41 5.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.51 -160.41 8.34 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.451 1.095 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 p 179.74 144.49 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 109.998 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.91 160.82 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.92 133.86 1.68 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.13 165.43 6.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.76 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.23 130.38 8.59 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 t -161.89 174.78 12.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -46.62 130.31 11.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 1.006 HG23 HG13 ' A' ' 13' ' ' ILE . 5.2 t -96.77 -32.02 12.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.441 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 1.006 HG13 HG23 ' A' ' 12' ' ' THR . 8.2 mt -132.84 149.81 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 p -135.32 117.42 15.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.386 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.822 ' HD2' HG12 ' A' ' 27' ' ' VAL . 4.1 m-85 -97.78 160.83 14.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.7 p -132.06 105.17 7.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.632 ' CG2' HG21 ' A' ' 21' ' ' THR . 2.5 p -131.92 127.44 58.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.1 -167.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.7 -26.36 14.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -73.78 57.53 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.632 HG21 ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -107.86 124.45 50.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.411 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.97 -163.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.485 ' CG ' ' HA ' ' A' ' 70' ' ' GLU . 6.0 mtm180 -72.54 106.63 4.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.11 35.8 3.32 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.506 ' HB3' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -99.77 135.34 41.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.98 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 27' ' ' VAL . 2.3 tp -80.45 113.54 18.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.822 HG12 ' HD2' ' A' ' 15' ' ' TYR . 45.0 t -76.55 -45.81 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.461 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 172.72 -175.31 45.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.485 ' C ' ' HH ' ' A' ' 15' ' ' TYR . 8.8 m-20 -100.61 140.22 35.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.913 HD21 ' CG2' ' A' ' 90' ' ' VAL . 6.3 tp -109.27 -60.36 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.519 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -61.78 -26.54 68.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.5 -21.7 22.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.427 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -69.51 -54.43 14.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.801 HD21 HD11 ' A' ' 13' ' ' ILE . 42.4 mt -73.22 -7.41 51.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.41 13.38 83.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.0 mt -84.51 177.13 8.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.752 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.88 155.18 24.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.0 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.993 HD21 ' O ' ' A' ' 63' ' ' SER . 3.0 mm? -44.38 -60.32 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.84 ' O ' HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER -40.98 -56.53 2.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -52.13 -46.97 65.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.898 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -66.81 -27.93 67.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -76.75 -56.21 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.84 HG23 ' O ' ' A' ' 39' ' ' ARG . 61.9 p -49.08 -47.63 44.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 92' ' ' LEU . 17.8 mtm180 -86.33 12.9 9.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' ARG . . . 36.86 91.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.898 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -99.35 125.64 45.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 0.792 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -141.09 158.19 44.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.235 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.686 HG21 ' HB3' ' A' ' 57' ' ' LEU . 8.9 mm -90.27 131.84 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -78.05 157.46 29.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.4 p -76.68 146.09 38.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.961 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.543 ' HE3' HD23 ' A' ' 77' ' ' LEU . 5.1 ttpm? -72.95 155.32 39.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -41.84 -31.82 0.85 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.27 -57.99 2.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -168.5 168.23 11.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -72.74 107.87 5.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.2 mp -114.4 16.65 17.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.686 ' HB3' HG21 ' A' ' 48' ' ' ILE . 30.9 mt -132.46 153.02 51.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -155.6 105.71 2.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -78.24 131.65 37.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.337 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 12.3 pt-20 -98.78 111.17 23.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -72.16 -4.13 27.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.38 -10.37 59.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.993 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -148.0 -50.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.61 58.53 0.6 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -135.02 162.15 33.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 0.788 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.524 ' CD2' HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -96.61 103.48 15.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.683 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.1 mm? -101.84 156.13 17.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.769 HD22 HD11 ' A' ' 72' ' ' LEU . 2.3 mt -90.4 168.29 11.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.505 ' HA ' ' CE ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -91.14 -36.83 13.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.485 ' HA ' ' CG ' ' A' ' 23' ' ' ARG . 4.3 pt-20 -170.13 -177.85 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -55.73 125.53 21.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.838 ' HB3' HD11 ' A' ' 77' ' ' LEU . 1.2 mm? -62.72 152.17 36.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.2 111.04 16.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 78' ' ' CYS . 0.4 OUTLIER -40.67 -54.34 2.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.325 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 76' ' ' GLU . 54.0 mm-40 -57.41 -62.08 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 75' ' ' GLU . 4.3 tt0 -38.81 -55.7 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.838 HD11 ' HB3' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -71.77 -76.36 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 74' ' ' ARG . 25.2 p -158.49 94.08 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 108.324 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.47 107.62 0.46 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 41.34 91.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.762 . . . . 0.0 109.963 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.423 ' CG2' ' N ' ' A' ' 82' ' ' ASN . 1.0 OUTLIER -157.63 163.75 37.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.446 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.478 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 4.7 t30 -153.23 139.01 11.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.3 Cg_endo -74.98 159.47 97.96 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.023 -0.032 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.5 95.22 5.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 108.272 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 103' ' ' ILE . 76.8 mt -122.53 134.89 64.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -72.17 151.09 43.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.419 ' CE1' ' O ' ' A' ' 85' ' ' ILE . 1.3 m-70 -110.51 112.91 25.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.558 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.463 ' CD2' HG13 ' A' ' 103' ' ' ILE . 4.8 p90 -147.3 174.32 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -153.01 172.07 17.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.913 ' CG2' HD21 ' A' ' 30' ' ' LEU . 19.5 t -122.2 114.07 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.712 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 10.1 tp -90.96 135.74 33.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.415 ' HA ' ' O ' ' A' ' 44' ' ' ARG . 90.1 mt -126.59 146.35 50.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 94' ' ' SER . 5.6 mttm -97.32 175.1 6.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 93' ' ' LYS . 68.4 p -35.31 111.86 0.45 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.1 Cg_endo -75.01 122.55 8.29 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.948 0.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 17.5 t -58.09 132.36 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 98' ' ' PHE . 40.8 tt0 -160.32 148.98 16.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.712 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 19.3 m-85 -127.46 157.98 38.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.945 HG23 HG21 ' A' ' 12' ' ' THR . 4.6 mp -133.81 165.82 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.533 ' O ' HG22 ' A' ' 12' ' ' THR . 5.3 mt-30 -133.4 85.55 2.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -89.21 -170.77 45.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -147.61 158.59 44.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.535 ' O ' HG23 ' A' ' 85' ' ' ILE . 28.7 mt -127.04 107.7 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -97.2 144.63 26.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 tp -83.26 124.52 30.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -39.1 119.73 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -147.62 143.14 27.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.1 t -91.66 135.51 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -102.06 110.32 22.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -141.78 -48.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 59.7 164.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.616 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.14 149.25 97.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.12 19.96 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.503 1.791 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.84 161.3 31.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -140.56 122.75 15.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.89 130.73 50.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -136.02 166.09 24.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -158.26 156.49 30.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.84 168.18 27.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 t -167.04 139.33 3.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -143.4 114.36 0.83 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.67 5.2 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 111.029 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.87 155.45 40.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.975 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.29 167.69 29.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.985 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.2 -58.56 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.0 109.978 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -174.99 170.39 3.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.992 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.93 -172.29 13.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t -170.66 148.23 2.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 110.004 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.64 155.47 14.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.014 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.66 167.36 14.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -171.67 172.61 4.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.31 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.0 167.22 16.36 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.9 m -97.66 -55.26 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 109.997 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.547 ' HB2' ' HG3' ' A' ' 102' ' ' GLU . . . -97.32 130.43 44.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 1.012 HG23 HG13 ' A' ' 13' ' ' ILE . 6.8 t -103.59 -32.18 9.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 1.012 HG13 HG23 ' A' ' 12' ' ' THR . 13.8 mt -129.48 148.83 33.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 p -136.37 116.86 13.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.832 ' HD2' HG12 ' A' ' 27' ' ' VAL . 5.0 m-85 -96.18 156.62 16.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.5 p -122.23 108.66 13.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.677 ' CG2' HG21 ' A' ' 21' ' ' THR . 2.6 p -134.58 129.16 52.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -166.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -95.77 -28.76 14.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.43 59.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.677 HG21 ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -108.82 127.16 53.79 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.108 . . . . 0.0 110.382 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 24' ' ' GLY . 0.6 OUTLIER -138.74 162.37 34.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -37.93 95.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.35 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 117.75 44.24 0.55 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.504 1.127 . . . . 0.0 111.028 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.684 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -118.37 131.54 56.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 0.731 . . . . 0.0 110.001 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.525 HD22 ' ND2' ' A' ' 65' ' ' ASN . 3.6 tp -80.91 111.49 17.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.832 HG12 ' HD2' ' A' ' 15' ' ' TYR . 76.3 t -78.39 -41.02 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.425 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 160.81 166.23 19.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 1.0 OUTLIER -83.1 140.22 32.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.056 HD21 HG22 ' A' ' 90' ' ' VAL . 12.3 tp -101.43 -31.87 10.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.606 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -80.11 -41.15 26.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -72.19 -24.39 61.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.75 -65.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.241 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.746 HD21 ' CD1' ' A' ' 13' ' ' ILE . 10.1 mt -71.5 -7.66 48.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.91 15.62 80.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' ALA . 15.5 mt -80.52 159.85 25.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.794 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.4 m -90.01 143.67 26.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.823 ' O ' HD12 ' A' ' 42' ' ' ILE . 1.0 OUTLIER -40.67 -54.25 2.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 42' ' ' ILE . 1.4 ttt180 -45.24 -58.95 2.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -49.19 -43.22 42.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.842 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -67.75 -26.21 66.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.823 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -82.41 -57.19 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -54.14 -45.57 72.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.443 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -81.45 5.54 17.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 41.5 91.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.842 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -103.27 124.17 48.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.65 ' CD ' HD23 ' A' ' 91' ' ' LEU . 11.5 pt20 -133.69 165.25 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.72 HG21 ' HB3' ' A' ' 57' ' ' LEU . 15.0 mm -100.3 129.92 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 88' ' ' PHE . 16.3 mt -115.15 107.21 15.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 p -135.59 137.48 41.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? 50.38 -177.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.261 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.69 126.54 7.57 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.101 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 44.72 35.13 1.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.95 57.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -77.62 141.26 39.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mp -108.55 19.38 19.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.72 ' HB3' HG21 ' A' ' 48' ' ' ILE . 13.6 mt -136.39 149.01 48.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -155.22 111.01 3.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.521 HD23 ' O ' ' A' ' 46' ' ' ALA . 48.9 tp -78.88 118.87 21.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.613 ' OE1' HD21 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -55.52 -40.26 71.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 65.86 9.18 5.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -106.88 -37.86 6.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.94 9.15 6.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.92 52.72 50.57 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.548 1.155 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.528 ' O ' HD22 ' A' ' 67' ' ' LEU . 46.3 m-20 -131.38 140.28 49.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.623 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -86.41 122.88 30.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.613 HD21 ' OE1' ' A' ' 60' ' ' GLU . 2.3 mm? -110.33 134.84 51.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.925 HD22 HD11 ' A' ' 72' ' ' LEU . 4.3 mt -79.46 148.16 32.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -43.96 72.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -172.13 -176.53 1.67 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.1 ttpt -49.69 123.32 7.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.925 HD11 HD22 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -62.3 120.59 11.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.09 115.02 15.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 78' ' ' CYS . 12.6 ptt180 -52.93 -42.82 65.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.16 -64.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -39.62 -52.63 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.827 HD11 ' HB3' ' A' ' 72' ' ' LEU . 4.7 mt -71.4 -77.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 74' ' ' ARG . 0.8 OUTLIER -162.1 -71.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 108.328 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.28 -47.82 1.07 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.8 -57.99 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.2 m -44.97 155.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.451 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.463 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 0.5 OUTLIER -138.08 157.46 72.89 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.3 Cg_endo -74.99 -171.39 9.32 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.032 -0.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.96 78.62 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 108.311 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.727 HG23 ' O ' ' A' ' 103' ' ' ILE . 86.3 mt -114.27 134.5 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.418 ' HB3' HD12 ' A' ' 103' ' ' ILE . 0.3 OUTLIER -72.1 152.58 42.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -113.44 111.28 21.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.588 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.532 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 6.3 p90 -144.62 173.87 11.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -150.66 149.26 29.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 1.056 HG22 HD21 ' A' ' 30' ' ' LEU . 49.2 t -99.24 112.43 31.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.799 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 8.1 tp -90.5 136.12 33.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 91' ' ' LEU . 75.9 mt -131.45 148.48 52.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 94' ' ' SER . 13.8 mttm -100.06 175.38 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.372 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 93' ' ' LYS . 59.6 p -32.45 109.6 0.31 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.96 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.483 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.02 122.28 8.07 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.969 0.004 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 24.3 t -63.27 133.06 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -168.77 146.94 3.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.799 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 7.0 m-85 -122.91 158.68 29.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.921 HG23 HG21 ' A' ' 12' ' ' THR . 4.2 mp -129.91 162.7 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.433 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 1.8 mt-30 -117.34 70.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.532 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -76.3 162.13 52.22 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.547 ' HG3' ' HB2' ' A' ' 11' ' ' ALA . 10.0 mm-40 -130.13 165.83 21.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.727 ' O ' HG23 ' A' ' 85' ' ' ILE . 31.9 mt -133.07 117.21 28.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -107.37 144.18 34.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tp -83.35 130.45 35.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.52 165.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.34 169.74 11.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 108' ' ' VAL . 34.1 m -50.82 112.28 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.58 156.39 42.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -109.79 -61.3 1.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -172.17 174.69 3.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.563 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.413 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . . . -117.81 145.01 35.6 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -74.99 -175.18 2.23 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.502 1.791 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.93 174.58 5.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.22 -14.43 21.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 117' ' ' GLU . 0.3 OUTLIER 55.99 16.81 2.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 116' ' ' MET . 5.7 tt0 -38.83 147.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -171.08 167.35 7.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.91 138.51 23.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.2 p -164.66 134.06 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -169.92 132.06 2.42 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.578 1.174 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 179.95 5.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.517 1.799 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.95 114.91 10.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.3 p -109.94 166.7 10.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.996 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.566 1.166 . . . . 0.0 111.027 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 t -172.08 170.3 5.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.023 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.46 169.02 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.33 150.93 5.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -176.67 145.98 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 109.981 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.35 167.04 1.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.025 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.98 149.78 5.37 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 0.0 111.054 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.2 159.67 23.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.44 168.27 11.41 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.557 1.161 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.2 m -135.7 -48.65 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.98 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.48 ' HB1' ' OE1' ' A' ' 102' ' ' GLU . . . -101.42 129.26 47.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.992 HG23 HG13 ' A' ' 13' ' ' ILE . 5.0 t -106.23 -32.42 8.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.992 HG13 HG23 ' A' ' 12' ' ' THR . 6.8 mt -129.48 147.31 33.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -136.25 116.61 13.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.799 ' HD2' HG12 ' A' ' 27' ' ' VAL . 2.7 m-85 -100.88 168.74 9.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.0 p -130.51 122.46 27.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.962 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.717 HG21 HG21 ' A' ' 21' ' ' THR . 8.9 p -160.45 166.27 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.93 -173.98 5.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.524 ' HB3' HD12 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -98.73 -26.03 14.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -97.71 18.59 15.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.717 HG21 HG21 ' A' ' 17' ' ' VAL . 1.2 m -40.1 125.5 2.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -66.44 167.67 10.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.44 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -81.33 144.26 31.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.32 26.47 74.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.138 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.577 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -97.39 148.77 22.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 0.768 . . . . 0.0 110.043 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 28' ' ' GLY . 1.5 tp -77.34 113.05 14.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.799 HG12 ' HD2' ' A' ' 15' ' ' TYR . 94.6 t -81.29 -39.65 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.519 ' N ' HD12 ' A' ' 26' ' ' LEU . . . 164.88 157.07 9.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' O ' ' OD1' ' A' ' 33' ' ' ASP . 6.2 p30 -79.16 131.52 36.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.783 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.878 HD21 ' CG2' ' A' ' 90' ' ' VAL . 9.8 tp -98.71 -37.85 9.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.511 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -68.35 -55.81 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -38.52 84.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 29' ' ' ASN . 0.1 OUTLIER -46.55 -54.55 9.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.585 HD21 ' CD1' ' A' ' 13' ' ' ILE . 16.2 mt -90.5 22.96 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 48.32 26.0 4.63 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.3 mt -84.41 161.37 20.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 m -98.21 145.22 26.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.878 ' O ' HD12 ' A' ' 42' ' ' ILE . 2.3 mm? -46.84 -52.99 12.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.639 ' O ' HG23 ' A' ' 43' ' ' THR . 1.7 ttp-105 -47.21 -45.85 23.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -63.83 -51.2 65.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.741 HD13 ' HB3' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -59.64 -24.86 64.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.878 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -81.0 -50.58 16.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 39' ' ' ARG . 16.8 p -54.81 -49.89 69.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.362 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 36.1 mtm-85 -77.7 1.59 19.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 41.09 62.81 1.67 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.883 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -73.62 118.98 17.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.761 ' CD ' HD23 ' A' ' 91' ' ' LEU . 6.5 pt20 -124.99 159.8 30.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.325 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.733 HD11 HD22 ' A' ' 30' ' ' LEU . 42.8 mm -95.33 135.96 27.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.9 mt -106.26 106.43 16.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.51 98.84 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 77.62 -175.32 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -144.08 50.71 0.66 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.135 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 176.36 -51.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.753 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.01 72.01 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -41.0 150.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.34 -42.93 2.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.615 HD21 HG21 ' A' ' 27' ' ' VAL . 17.1 mt -107.37 154.54 21.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.03 105.0 2.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.883 HD23 ' O ' ' A' ' 46' ' ' ALA . 11.8 tp -78.87 107.49 11.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.9 OUTLIER -40.92 -51.67 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.613 ' O ' HD11 ' A' ' 42' ' ' ILE . 4.9 tt0 84.82 -10.07 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -93.74 -36.46 12.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.4 -10.47 14.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.629 ' N ' HD11 ' A' ' 38' ' ' LEU . . . 70.24 48.46 38.42 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.554 ' O ' HD22 ' A' ' 67' ' ' LEU . 48.9 m-20 -135.16 149.92 50.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.573 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -84.9 123.2 30.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.554 HD22 ' O ' ' A' ' 65' ' ' ASN . 1.4 mm? -113.54 134.55 54.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.742 HD22 HD21 ' A' ' 72' ' ' LEU . 8.6 mt -80.21 131.7 35.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.47 -61.22 2.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.44 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 3.2 pt-20 -146.24 -174.9 4.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -57.0 120.38 7.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.742 HD21 HD22 ' A' ' 68' ' ' LEU . 1.2 mm? -63.13 152.45 37.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.464 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -105.68 132.55 51.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 78' ' ' CYS . 2.9 mtt180 -65.0 -72.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -45.43 -59.58 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -39.33 -60.45 0.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.572 HD11 ' HB3' ' A' ' 72' ' ' LEU . 10.4 mt -70.52 -78.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.421 ' N ' ' O ' ' A' ' 74' ' ' ARG . 15.0 p -150.46 89.2 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 108.305 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -42.1 -57.43 3.59 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.435 1.084 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.29 69.59 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.962 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.1 m -132.02 159.27 39.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.379 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.488 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 4.9 p-10 -140.44 147.37 49.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.3 Cg_endo -75.0 132.59 28.07 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.045 -2.481 . . . . 0.0 110.999 0.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.462 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.7 t -68.71 96.85 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 108.298 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 82.8 mt -133.29 134.2 57.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.459 ' HG ' HD22 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -72.45 150.29 43.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -109.17 110.7 21.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.581 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.568 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.5 p90 -143.94 166.92 23.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -144.68 158.98 43.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.878 ' CG2' HD21 ' A' ' 30' ' ' LEU . 98.1 t -105.97 105.52 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.781 HD13 ' CE1' ' A' ' 98' ' ' PHE . 6.8 tp -79.71 133.83 36.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.609 HD12 ' HB3' ' A' ' 97' ' ' GLN . 51.5 mt -124.55 146.85 48.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 94' ' ' SER . 10.5 mttm -99.65 173.87 6.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.453 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 28.4 p -35.17 111.63 0.44 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.07 122.45 8.22 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.004 -2.498 . . . . 0.0 111.007 0.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.6 134.86 20.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.609 ' HB3' HD12 ' A' ' 92' ' ' LEU . 2.7 tm0? -163.44 158.22 20.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.781 ' CE1' HD13 ' A' ' 91' ' ' LEU . 97.2 m-85 -139.1 149.04 44.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.924 HG23 HG21 ' A' ' 12' ' ' THR . 3.5 mp -122.99 163.63 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.825 ' O ' HG22 ' A' ' 12' ' ' THR . 5.1 mt-30 -118.99 89.04 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.568 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -88.54 178.83 45.97 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.491 1.12 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.48 ' OE1' ' HB1' ' A' ' 11' ' ' ALA . 40.2 mp0 -146.21 148.69 32.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.744 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.487 HG13 ' CE2' ' A' ' 88' ' ' PHE . 10.7 mt -123.67 98.86 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -74.62 131.35 40.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.337 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.524 HD12 ' HB3' ' A' ' 19' ' ' GLU . 2.3 mm? -83.74 130.8 34.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.45 154.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -149.04 166.82 27.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.3 t -83.04 103.91 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -178.84 144.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 39.4 t0 179.74 143.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.403 ' O ' ' HB3' ' A' ' 112' ' ' ALA . 2.5 t60 -175.96 -62.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.619 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 111' ' ' HIS . . . 66.46 115.01 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 158.99 41.87 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -143.43 153.44 42.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.2 t80 54.26 171.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.968 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.78 163.46 27.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -174.99 146.49 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -122.91 142.21 51.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -178.94 154.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.7 m -169.86 169.68 8.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.028 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -160.41 157.26 28.64 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -178.83 4.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.432 1.754 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 24.4 p -172.59 170.42 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.983 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.1 m -130.35 170.49 14.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.0 p -163.45 164.7 24.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.001 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.11 149.3 25.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.35 -143.57 14.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.565 1.166 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -172.35 154.23 3.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.778 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 m -165.56 168.57 16.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.953 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.72 -126.19 0.97 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 63.11 156.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.32 149.33 16.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.48 173.6 4.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 109.996 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.416 ' HB2' ' HG3' ' A' ' 102' ' ' GLU . . . -48.62 130.01 16.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.948 HG21 HG23 ' A' ' 99' ' ' ILE . 5.0 t -99.39 -32.87 10.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.429 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.891 HG13 HG23 ' A' ' 12' ' ' THR . 16.3 mt -129.67 150.11 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -135.99 117.23 14.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.413 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.835 ' CD2' HG12 ' A' ' 27' ' ' VAL . 5.6 m-85 -100.91 166.54 10.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 p -132.0 117.25 18.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.996 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.578 ' CG2' ' CG2' ' A' ' 21' ' ' THR . 7.9 p -140.25 139.71 35.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.16 -168.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -101.34 -6.28 24.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -93.97 45.38 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.808 ' HB ' HD13 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -84.31 -175.4 5.77 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.8 -164.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.455 ' CA ' ' HA ' ' A' ' 70' ' ' GLU . 6.3 ptt180 -78.57 54.32 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.36 42.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.755 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -115.4 136.84 52.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 27' ' ' VAL . 2.5 tp -83.24 113.07 20.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.835 HG12 ' CD2' ' A' ' 15' ' ' TYR . 42.5 t -82.13 -40.41 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.441 ' N ' HD12 ' A' ' 26' ' ' LEU . . . 164.99 -169.14 39.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 4.6 m120 -107.49 140.45 40.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.68 HD22 HD11 ' A' ' 48' ' ' ILE . 12.1 tp -105.46 -61.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.551 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -54.88 -41.02 70.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.64 -44.86 61.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.543 ' OD2' ' CE1' ' A' ' 15' ' ' TYR . 1.1 m-20 -40.16 -70.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.794 HD21 HD11 ' A' ' 13' ' ' ILE . 9.1 mt -63.18 -25.42 68.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.42 18.54 38.42 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ALA . 79.8 mt -84.37 165.78 17.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 0.747 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 m -93.62 155.49 17.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.998 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.731 HD21 ' O ' ' A' ' 63' ' ' SER . 3.6 mm? -50.83 -59.51 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.6 ' O ' HG23 ' A' ' 43' ' ' THR . 6.5 ttp180 -42.74 -44.95 4.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -62.43 -47.81 82.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.806 HD13 ' HB3' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -63.74 -25.02 68.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.606 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -82.81 -53.39 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.6 HG23 ' O ' ' A' ' 39' ' ' ARG . 22.2 p -56.01 -44.84 79.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.421 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -79.59 -0.68 34.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 43.2 71.37 0.42 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.806 ' HB3' HD13 ' A' ' 41' ' ' LEU . . . -87.76 116.46 25.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.766 ' OE1' HD23 ' A' ' 91' ' ' LEU . 12.9 pt20 -123.84 162.03 24.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.68 HD11 HD22 ' A' ' 30' ' ' LEU . 17.2 mm -94.4 135.59 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 48' ' ' ILE . 16.8 mt -120.57 109.84 15.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.8 m -134.93 129.96 35.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.402 ' NZ ' ' HG2' ' A' ' 76' ' ' GLU . 1.3 mmtm 63.61 135.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -39.52 -63.65 1.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.441 1.088 . . . . 0.0 111.012 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.98 135.21 53.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.1 mttp 74.52 110.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -95.77 145.91 24.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 mp -104.34 18.15 22.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.667 ' HB3' HG21 ' A' ' 48' ' ' ILE . 15.8 mt -132.62 152.3 51.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.71 103.47 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.56 134.52 35.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -91.04 115.23 27.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -84.53 11.5 8.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.49 4.22 50.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.731 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -163.32 -45.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.82 67.84 0.61 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -143.73 152.92 41.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.61 HD23 HD22 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -98.77 104.78 16.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.629 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.3 mm? -101.61 149.37 24.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.808 HD13 ' HB ' ' A' ' 21' ' ' THR . 2.8 mt -86.45 147.23 26.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -53.47 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.455 ' HA ' ' CA ' ' A' ' 23' ' ' ARG . 6.2 pt-20 -166.57 -175.21 3.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -45.34 123.05 3.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.698 ' HB3' HD11 ' A' ' 77' ' ' LEU . 1.5 mm? -73.05 129.08 37.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.603 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -75.01 127.55 33.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 78' ' ' CYS . 53.4 mtt180 -67.09 -54.14 24.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -55.51 -62.42 1.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.402 ' HG2' ' NZ ' ' A' ' 51' ' ' LYS . 3.1 tt0 -38.42 -61.39 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.698 HD11 ' HB3' ' A' ' 72' ' ' LEU . 4.3 mt -65.27 -75.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.403 ' N ' ' O ' ' A' ' 74' ' ' ARG . 0.8 OUTLIER -153.94 -74.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 108.304 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 125.33 -60.86 0.62 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.88 55.43 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.955 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.2 m -129.63 157.31 42.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.499 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 4.7 p-10 -140.45 144.37 36.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.4 Cg_endo -75.02 158.41 99.0 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.987 0.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.93 86.62 2.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 108.321 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 103' ' ' ILE . 93.8 mt -115.98 134.56 58.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.98 152.55 42.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -111.34 110.6 21.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.595 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.478 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.4 p90 -144.0 170.71 15.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.6 mp0 -153.01 145.78 24.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.43 ' CG2' HD21 ' A' ' 30' ' ' LEU . 19.8 t -94.09 127.78 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.766 HD23 ' OE1' ' A' ' 47' ' ' GLN . 7.1 tp -98.68 134.74 41.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.582 ' N ' HD12 ' A' ' 91' ' ' LEU . 92.8 mt -127.92 148.09 50.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 94' ' ' SER . 21.8 mttm -103.15 173.55 6.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.506 ' C ' ' O ' ' A' ' 93' ' ' LYS . 52.2 p -31.37 108.61 0.27 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.03 122.63 8.35 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.008 -2.496 . . . . 0.0 111.007 0.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.401 HG22 ' HA ' ' A' ' 93' ' ' LYS . 24.6 t -64.37 134.39 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -168.8 145.88 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.521 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 8.5 m-85 -117.37 158.6 24.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.948 HG23 HG21 ' A' ' 12' ' ' THR . 4.5 mp -129.23 156.4 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.445 ' O ' HG22 ' A' ' 12' ' ' THR . 8.0 mt-30 -116.63 72.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.478 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -73.81 -178.39 37.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.416 ' HG3' ' HB2' ' A' ' 11' ' ' ALA . 64.2 mm-40 -147.4 158.72 44.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.506 ' O ' HG23 ' A' ' 85' ' ' ILE . 20.8 mt -130.71 108.73 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -91.68 133.0 35.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 106' ' ' GLN . 2.2 mm? -82.08 114.72 20.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 105' ' ' LEU . 1.1 mm-40 -38.65 123.83 1.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.05 100.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.1 t -96.76 101.71 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 174.52 100.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 177.31 118.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -148.68 59.36 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.641 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -171.84 148.16 2.09 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 136.6 20.54 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.478 1.778 . . . . 0.0 111.021 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.94 151.35 24.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -136.8 166.74 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 8.0 tpt -113.24 15.63 19.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -111.92 129.92 56.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 t70 176.71 166.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 61.92 127.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.32 158.08 43.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -40.54 119.18 1.3 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.19 11.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.535 1.808 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.6 m -158.63 150.9 21.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.6 t -146.27 168.58 20.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.34 107.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 110.025 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.83 138.48 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.973 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.1 102.16 0.54 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.117 . . . . 0.0 110.982 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.13 124.32 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.954 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.11 157.12 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.74 173.74 16.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 64.72 124.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.28 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.99 152.65 9.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.05 -56.7 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.25 130.59 8.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.984 HG23 HG13 ' A' ' 13' ' ' ILE . 6.7 t -103.07 -32.11 9.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.385 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.984 HG13 HG23 ' A' ' 12' ' ' THR . 12.0 mt -132.11 149.67 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.4 p -135.81 117.53 15.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.823 ' HD2' HG12 ' A' ' 27' ' ' VAL . 5.6 m-85 -98.09 165.27 11.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 p -132.47 107.26 8.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.632 ' CG2' HG21 ' A' ' 21' ' ' THR . 2.8 p -130.8 129.33 63.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.91 -157.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.737 ' OE1' HD11 ' A' ' 105' ' ' LEU . 1.1 pm0 -111.62 -24.73 9.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.29 54.57 2.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.632 HG21 ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -95.43 127.51 41.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.18 -163.66 0.94 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' CG ' ' HA ' ' A' ' 70' ' ' GLU . 24.0 mtm180 -73.71 108.32 6.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.47 52.59 1.31 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.572 ' CB ' HD12 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -114.28 132.68 56.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 0.809 . . . . 0.0 109.983 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' ' 27' ' ' VAL . 2.2 tp -75.65 113.92 13.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.823 HG12 ' HD2' ' A' ' 15' ' ' TYR . 41.6 t -80.67 -41.51 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.506 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 170.2 -173.69 44.22 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.408 ' O ' ' OH ' ' A' ' 15' ' ' TYR . 5.6 m-80 -102.0 144.44 30.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.753 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.644 HD21 HG22 ' A' ' 90' ' ' VAL . 11.9 tp -116.98 -55.51 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.594 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -66.2 -23.7 66.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -93.89 -23.62 18.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.49 -48.79 63.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.75 HD21 ' CD1' ' A' ' 13' ' ' ILE . 12.9 mt -86.76 11.76 12.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 55.25 22.84 31.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.0 mt -82.35 175.85 9.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.81 148.18 32.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.666 HD21 ' O ' ' A' ' 63' ' ' SER . 1.4 mm? -45.93 -64.48 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -40.39 -45.56 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 110.274 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -61.98 -49.26 76.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.613 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -62.33 -23.86 67.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 109.284 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.1 mp -84.75 -56.35 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.5 p -55.8 -38.18 69.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.344 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -82.84 3.42 29.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 41.29 75.72 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.763 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -96.0 125.2 40.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.668 ' CD ' HD23 ' A' ' 91' ' ' LEU . 13.4 pt20 -133.23 158.74 42.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.707 HG21 ' HB3' ' A' ' 57' ' ' LEU . 25.9 mm -93.19 136.88 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.1 mt -115.85 108.62 16.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 m -132.39 110.11 10.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.983 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 73.39 -70.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.53 -123.49 1.38 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -44.59 -49.48 10.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.6 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 76.42 114.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.87 4.06 19.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.707 ' HB3' HG21 ' A' ' 48' ' ' ILE . 15.5 mt -133.19 155.66 48.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.62 112.04 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.763 HD23 ' O ' ' A' ' 46' ' ' ALA . 3.7 tp -78.83 111.06 14.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.4 OUTLIER -38.11 -56.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.638 ' O ' HD12 ' A' ' 38' ' ' LEU . 0.8 OUTLIER 85.59 -46.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -8.67 57.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.666 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -126.24 -44.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.25 39.74 3.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.426 ' O ' HD22 ' A' ' 67' ' ' LEU . 89.2 m-20 -126.33 155.77 41.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 0.726 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.494 HD13 ' CZ ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -93.3 104.8 16.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.488 ' CD2' ' HB2' ' A' ' 60' ' ' GLU . 2.0 mm? -100.69 154.56 18.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.688 HD22 HD11 ' A' ' 72' ' ' LEU . 5.1 mt -87.59 177.02 7.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.79 -40.04 6.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.454 ' HA ' ' CG ' ' A' ' 23' ' ' ARG . 2.4 pt-20 -167.07 -177.87 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -57.96 124.24 18.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.754 ' HB3' HD11 ' A' ' 77' ' ' LEU . 1.0 OUTLIER -63.05 134.69 56.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.33 114.53 27.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 78' ' ' CYS . 7.6 ptp180 -52.49 -51.56 58.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -57.12 -64.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.331 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -38.85 -53.31 1.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.754 HD11 ' HB3' ' A' ' 72' ' ' LEU . 2.3 mt -69.1 -74.51 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 74' ' ' ARG . 0.8 OUTLIER -160.52 -71.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 108.293 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 108.71 -54.42 0.55 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.536 1.148 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.4 m -126.85 -47.56 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 110.002 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.8 m -44.9 150.07 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.363 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.49 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 2.3 p30 -130.57 153.88 81.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.364 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.4 Cg_endo -74.98 -171.26 9.13 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.048 -0.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.09 56.17 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.315 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.445 HG23 ' H ' ' A' ' 103' ' ' ILE . 95.8 mt -96.69 135.69 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.442 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -73.32 152.99 40.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -112.87 114.33 26.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.603 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.504 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 5.7 p90 -147.06 169.2 19.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -152.05 143.68 23.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.644 HG22 HD21 ' A' ' 30' ' ' LEU . 38.1 t -91.82 108.04 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.767 HD13 ' CE1' ' A' ' 98' ' ' PHE . 7.2 tp -86.3 136.73 33.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 91' ' ' LEU . 61.6 mt -127.92 147.59 50.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 94' ' ' SER . 9.4 mttt -97.72 174.71 6.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 93' ' ' LYS . 26.3 p -34.67 111.57 0.42 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.4 Cg_endo -74.97 123.18 8.82 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.008 -0.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 24.7 t -57.6 126.48 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -152.19 154.23 35.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.767 ' CE1' HD13 ' A' ' 91' ' ' LEU . 80.4 m-85 -136.86 158.08 45.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.93 HG23 HG21 ' A' ' 12' ' ' THR . 4.1 mp -134.11 163.42 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.647 ' O ' HG22 ' A' ' 12' ' ' THR . 5.9 mt-30 -124.99 85.25 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.504 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -87.8 -173.69 47.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -147.59 158.21 43.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.767 . . . . 0.0 110.283 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.445 ' H ' HG23 ' A' ' 85' ' ' ILE . 13.6 mt -129.26 107.47 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -96.48 146.2 25.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.737 HD11 ' OE1' ' A' ' 19' ' ' GLU . 3.1 tp -93.32 149.74 21.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.452 ' H ' HD12 ' A' ' 105' ' ' LEU . 15.1 mm-40 -68.09 75.29 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.543 ' OD2' HD23 ' A' ' 105' ' ' LEU . 21.7 m-20 -108.52 55.56 0.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 108' ' ' VAL . 25.0 m -51.03 95.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 107' ' ' ASP . 7.2 m-20 175.81 88.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 173.03 93.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 52.31 175.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.647 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.04 151.21 38.12 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 133.55 16.76 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.59 165.71 27.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -159.42 173.08 16.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.6 ttm -162.78 170.79 17.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.75 158.17 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.62 167.95 22.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -141.89 170.68 15.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 90.3 p -126.6 170.36 12.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -141.17 156.97 25.87 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -177.88 3.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.806 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 41.3 t -170.89 146.5 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.028 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.3 p -100.71 171.15 7.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.5 m -151.94 125.89 9.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 109.975 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.22 124.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.975 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.3 96.06 2.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.9 p -105.87 161.29 14.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.957 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.49 102.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.48 118.67 4.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 65.87 139.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.76 120.55 0.54 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.6 m -95.45 166.64 11.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 65.96 131.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 1.038 HG23 HG13 ' A' ' 13' ' ' ILE . 6.8 t -106.47 -32.09 8.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.421 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 1.038 HG13 HG23 ' A' ' 12' ' ' THR . 17.3 mt -125.49 149.45 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -136.54 117.38 14.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.814 ' HD2' HG12 ' A' ' 27' ' ' VAL . 4.5 m-85 -96.74 159.05 15.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 p -127.11 106.92 9.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.669 ' CG2' HG21 ' A' ' 21' ' ' THR . 2.5 p -131.33 129.15 62.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.76 -164.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -98.36 -28.78 13.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.88 57.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.669 HG21 ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -104.52 123.62 47.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.365 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.85 179.79 4.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.509 ' CG ' ' HA ' ' A' ' 70' ' ' GLU . 0.9 OUTLIER -60.66 100.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.37 34.48 1.93 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.713 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -98.1 137.97 36.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 109.982 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 27' ' ' VAL . 2.0 tp -81.16 114.75 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.814 HG12 ' HD2' ' A' ' 15' ' ' TYR . 95.0 t -86.91 -37.55 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.494 ' N ' HD12 ' A' ' 26' ' ' LEU . . . 159.79 170.99 25.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 0.9 OUTLIER -96.08 137.48 35.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.741 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.946 HD21 HG22 ' A' ' 90' ' ' VAL . 8.2 tp -93.56 -44.78 8.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.614 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -66.82 -40.82 88.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.31 -31.71 65.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -66.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.762 HD21 ' CD1' ' A' ' 13' ' ' ILE . 8.4 mt -69.86 -8.22 46.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.74 16.95 80.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' ALA . 15.2 mt -74.42 169.05 18.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' LEU . 8.3 t -99.36 139.67 34.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.97 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.991 HD21 ' O ' ' A' ' 63' ' ' SER . 2.9 mm? -40.15 -56.48 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.65 -48.37 5.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -60.7 -51.63 68.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 1.088 HD13 ' HB3' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -59.43 -25.56 64.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.351 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.1 mp -80.49 -54.15 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 p -53.94 -54.3 40.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.402 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -76.25 -1.29 25.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 41.55 74.44 0.17 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.088 ' HB3' HD13 ' A' ' 41' ' ' LEU . . . -84.09 117.72 23.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.711 ' CD ' HD23 ' A' ' 91' ' ' LEU . 7.0 pt20 -118.24 170.33 8.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.848 HG21 ' HB3' ' A' ' 57' ' ' LEU . 17.0 mm -101.5 134.68 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.4 mt -119.71 111.38 17.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.1 m -135.22 123.32 22.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.27 169.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.72 73.91 0.34 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -177.7 -54.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.13 95.5 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -50.28 128.12 18.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.414 ' HA ' ' CB ' ' A' ' 69' ' ' LYS . 3.3 mp -94.95 16.39 16.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.848 ' HB3' HG21 ' A' ' 48' ' ' ILE . 10.2 mt -140.74 138.99 34.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -141.64 104.59 4.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 46' ' ' ALA . 20.5 tp -80.38 96.89 6.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.813 ' HG2' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -35.8 -49.32 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.24 3.83 4.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.461 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -86.3 -19.43 29.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.991 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -143.06 -46.25 0.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 110.001 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.05 60.17 0.14 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.499 1.125 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.519 ' O ' HD22 ' A' ' 67' ' ' LEU . 98.4 m-20 -143.26 139.92 30.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.794 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -88.1 125.08 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.813 HD21 ' HG2' ' A' ' 60' ' ' GLU . 1.6 mm? -114.53 132.52 56.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.922 HD22 HD11 ' A' ' 72' ' ' LEU . 4.3 mt -73.66 142.33 46.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.414 ' CB ' ' HA ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -65.33 -49.51 69.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.509 ' HA ' ' CG ' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -151.39 -175.34 5.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.307 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -66.66 117.59 9.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.922 HD11 HD22 ' A' ' 68' ' ' LEU . 1.1 mm? -51.75 132.35 31.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.98 137.32 37.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 78' ' ' CYS . 0.8 OUTLIER -63.5 -62.93 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -47.09 -58.02 4.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -41.26 -63.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.655 HD11 ' HB3' ' A' ' 72' ' ' LEU . 3.9 mt -66.29 -77.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 74' ' ' ARG . 1.3 p -151.12 -64.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 108.259 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 99.62 -46.07 1.46 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.47 -50.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 110.013 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.1 m -44.12 163.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.167 . . . . 0.0 110.396 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.475 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 0.7 OUTLIER -143.57 156.24 60.06 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.475 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.4 Cg_endo -75.02 -172.35 10.65 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.971 -2.512 . . . . 0.0 111.001 -0.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.49 66.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 108.301 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.755 HG23 ' O ' ' A' ' 103' ' ' ILE . 73.2 mt -109.77 131.25 61.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.466 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -71.68 142.05 49.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -106.55 113.97 27.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.631 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.551 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 6.8 p90 -143.69 173.37 11.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -153.64 143.8 22.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.946 HG22 HD21 ' A' ' 30' ' ' LEU . 76.8 t -89.15 126.21 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.711 HD23 ' CD ' ' A' ' 47' ' ' GLN . 7.8 tp -98.62 133.58 42.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.594 ' N ' HD12 ' A' ' 91' ' ' LEU . 41.3 mt -123.14 144.36 49.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 94' ' ' SER . 7.7 mttt -98.01 174.34 6.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.45 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 21.8 p -35.02 111.34 0.42 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.01 122.65 8.36 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 121.041 -2.483 . . . . 0.0 110.974 0.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 23.3 t -55.61 127.27 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.594 ' HB3' HD12 ' A' ' 92' ' ' LEU . 1.2 tm0? -150.82 161.62 42.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.787 ' C ' HD12 ' A' ' 99' ' ' ILE . 84.1 m-85 -141.89 154.31 45.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.895 HG23 HG21 ' A' ' 12' ' ' THR . 3.9 mp -133.83 150.09 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.931 ' O ' HG22 ' A' ' 12' ' ' THR . 3.1 pt20 -105.57 90.61 3.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.551 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -96.34 167.09 24.65 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 13' ' ' ILE . 60.9 mm-40 -136.31 160.94 37.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.755 ' O ' HG23 ' A' ' 85' ' ' ILE . 25.6 mt -128.98 112.84 26.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -103.93 146.62 28.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.0 tp -90.62 130.53 36.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -47.95 166.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -77.06 130.52 37.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.1 t -89.98 109.32 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -171.68 114.5 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -53.86 -55.79 23.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.225 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.3 m170 60.64 82.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.583 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.93 151.92 0.32 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 163.18 35.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.468 1.773 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.0 139.46 4.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -141.39 100.65 3.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.02 121.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.74 144.1 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.254 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 178.58 164.2 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -113.53 161.79 16.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.1 164.64 11.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.952 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -98.85 145.8 17.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -174.31 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 26.9 m 60.41 149.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.022 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -175.02 -58.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t 65.04 157.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.84 165.82 25.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.001 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.65 -175.66 39.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.51 158.66 7.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 110.005 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -106.27 -58.4 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.07 132.29 4.79 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.437 1.085 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.9 165.93 11.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 0.736 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.18 172.75 16.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.73 -59.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 109.987 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.04 129.69 45.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 1.024 HG23 HG13 ' A' ' 13' ' ' ILE . 5.9 t -102.55 -32.13 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.402 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 1.024 HG13 HG23 ' A' ' 12' ' ' THR . 10.3 mt -129.24 150.05 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 p -136.13 117.91 15.09 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.501 1.125 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.84 ' HD2' HG12 ' A' ' 27' ' ' VAL . 3.9 m-85 -99.83 169.47 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.3 p -132.41 121.6 23.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.462 HG12 HG23 ' A' ' 103' ' ' ILE . 11.6 p -151.88 144.8 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.77 -164.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.48 -27.44 10.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -94.03 54.19 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.676 ' CG2' HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -90.09 130.48 36.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.377 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -119.74 161.54 20.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -46.45 129.35 10.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.02 37.89 5.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.421 ' CB ' HD12 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -122.72 131.96 54.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 0.0 110.026 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.527 HD12 ' H ' ' A' ' 28' ' ' GLY . 2.5 tp -76.33 111.98 12.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.84 HG12 ' HD2' ' A' ' 15' ' ' TYR . 62.8 t -81.27 -37.76 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.568 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 164.56 179.53 38.71 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.451 ' OD1' ' ND2' ' A' ' 65' ' ' ASN . 16.0 m-80 -103.15 140.06 37.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.784 HD21 HG21 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -111.15 -36.38 5.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.492 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -72.56 -37.78 68.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -78.6 -45.84 20.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -40.98 -69.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.722 HD21 ' CD1' ' A' ' 13' ' ' ILE . 7.4 mt -63.37 -22.17 66.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.12 14.57 60.33 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' ALA . 31.8 mt -80.52 143.05 33.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.47 149.1 42.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.95 HD21 ' O ' ' A' ' 63' ' ' SER . 1.4 mm? -42.98 -60.64 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -38.44 -57.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.098 . . . . 0.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -49.73 -55.55 13.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.651 HD13 ' HB3' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -54.72 -29.37 53.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -78.84 -60.62 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.3 p -53.78 -49.83 67.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.436 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.0 mtp85 -70.1 -7.44 41.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 46.11 96.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.944 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -111.05 135.74 51.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.764 ' CD ' HD23 ' A' ' 91' ' ' LEU . 4.3 pt20 -138.72 165.71 26.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.563 HG21 ' HB3' ' A' ' 57' ' ' LEU . 12.8 mm -100.45 130.57 49.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.482 HD21 ' OE1' ' A' ' 47' ' ' GLN . 13.4 mt -109.27 105.74 15.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.41 ' OG ' HD21 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -137.16 128.55 28.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.662 ' HE3' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 61.32 153.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.02 -69.25 1.33 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.509 1.13 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -109.23 164.1 12.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 41.19 86.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -64.39 171.47 3.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.662 HD11 ' HE3' ' A' ' 51' ' ' LYS . 3.7 mp -119.58 6.39 11.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.803 HD23 ' HA ' ' A' ' 68' ' ' LEU . 16.9 mt -134.31 159.29 41.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.1 tt0 -155.53 112.44 3.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.944 HD23 ' O ' ' A' ' 46' ' ' ALA . 11.3 tp -81.59 108.49 15.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 2.6 mt-10 -38.64 -56.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.469 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER 84.33 -48.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.36 -15.95 63.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.95 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -120.86 -49.6 2.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.08 42.04 1.58 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.435 1.085 . . . . 0.0 111.027 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.491 ' O ' HD22 ' A' ' 67' ' ' LEU . 20.7 m120 -131.01 150.93 51.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.667 HD11 HD13 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -90.76 104.67 17.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.596 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.7 mm? -103.28 134.62 46.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.803 ' HA ' HD23 ' A' ' 57' ' ' LEU . 3.7 mt -65.48 -175.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.07 -51.88 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -146.43 -173.44 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -72.24 119.16 16.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.519 ' N ' HD13 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -61.26 128.65 37.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.23 87.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -43.68 -57.25 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -53.98 -66.33 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -39.98 -70.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.0 mt -57.02 -79.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.4 p -171.8 -64.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 108.3 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 43.12 50.61 6.28 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.1 -66.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.015 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.5 m -67.34 162.41 22.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.488 ' CB ' ' HA ' ' A' ' 83' ' ' PRO . 7.6 m-20 -111.57 161.0 27.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 18.3 Cg_endo -75.05 -39.7 1.39 Allowed 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.024 -2.49 . . . . 0.0 110.951 0.072 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 0.7 OUTLIER 83.84 86.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 108.264 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.473 HG23 ' O ' ' A' ' 103' ' ' ILE . 97.1 mt -128.71 128.64 67.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.804 HD23 ' N ' ' A' ' 87' ' ' HIS . 6.0 tt -71.81 138.8 48.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.804 ' N ' HD23 ' A' ' 86' ' ' LEU . 6.5 m-70 -97.84 117.0 31.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.573 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.578 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.3 p90 -147.52 168.94 20.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -150.99 149.27 29.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.784 HG21 HD21 ' A' ' 30' ' ' LEU . 47.2 t -92.41 113.01 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.764 HD23 ' CD ' ' A' ' 47' ' ' GLN . 7.4 tp -88.06 134.21 33.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.576 ' N ' HD12 ' A' ' 91' ' ' LEU . 44.5 mt -123.8 148.39 46.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 94' ' ' SER . 0.0 OUTLIER -98.11 174.52 6.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 93' ' ' LYS . 14.0 p -35.22 111.85 0.44 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.416 ' C ' ' O ' ' A' ' 93' ' ' LYS . 18.3 Cg_endo -74.99 122.15 7.96 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.984 -0.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 40.8 t -56.27 128.42 16.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.754 ' OE1' HD11 ' A' ' 99' ' ' ILE . 6.6 tm0? -151.35 162.38 41.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.628 ' CE1' HD13 ' A' ' 91' ' ' LEU . 86.4 m-85 -142.68 151.72 41.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.905 HG23 HG21 ' A' ' 12' ' ' THR . 4.4 mp -131.24 156.5 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.918 ' O ' HG22 ' A' ' 12' ' ' THR . 3.4 pt20 -110.83 93.49 4.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.578 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -93.85 179.23 38.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -149.77 157.79 43.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 85' ' ' ILE . 14.2 mt -128.78 105.67 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -85.49 142.92 28.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 84' ' ' CYS . 0.4 OUTLIER -78.77 120.7 23.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.39 108.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.93 126.5 33.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.7 p -43.0 130.76 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -169.93 114.94 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -98.18 137.79 36.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -172.25 169.59 5.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.624 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.16 145.49 30.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.5 12.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.799 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.16 127.0 55.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -82.71 168.73 16.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.1 mtt -69.51 163.94 24.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.053 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -171.1 138.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.91 153.41 29.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.12 139.88 53.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.4 m -122.66 96.58 5.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.4 149.13 36.63 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.142 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 164.71 32.79 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 40.7 p -109.24 158.84 17.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.98 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 53.8 p -125.83 153.82 43.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 0.0 110.038 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.31 144.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.01 171.86 16.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.89 -167.2 12.43 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.459 1.1 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.23 149.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 0.728 . . . . 0.0 109.975 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -172.33 155.38 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.74 153.15 6.96 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -177.84 164.02 1.88 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 0.786 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.42 147.73 4.78 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -162.62 175.83 10.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.782 . . . . 0.0 109.972 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.7 129.29 19.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 1.01 HG23 HG13 ' A' ' 13' ' ' ILE . 5.1 t -95.82 -32.67 12.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 1.01 HG13 HG23 ' A' ' 12' ' ' THR . 7.8 mt -133.79 149.45 30.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -134.2 116.67 15.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.826 ' HD2' HG12 ' A' ' 27' ' ' VAL . 3.7 m-85 -95.13 160.4 14.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 p -132.11 105.24 7.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.645 HG21 HG21 ' A' ' 21' ' ' THR . 2.9 p -127.79 138.37 54.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.503 ' CB ' ' OE2' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -72.17 -169.49 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -99.57 -8.66 24.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.503 ' OE2' ' CB ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -88.65 43.33 1.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.645 HG21 HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -93.03 125.51 37.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.397 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.14 178.99 4.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.506 ' CG ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -57.23 102.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.84 46.72 1.45 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.645 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -109.22 141.8 40.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.993 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.497 HD12 ' H ' ' A' ' 28' ' ' GLY . 3.1 tp -82.64 111.59 18.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.826 HG12 ' HD2' ' A' ' 15' ' ' TYR . 57.7 t -78.93 -39.06 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.497 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 164.32 177.2 36.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -91.97 141.19 28.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.79 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.864 HD21 ' CG2' ' A' ' 90' ' ' VAL . 6.1 tp -108.04 -54.53 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.481 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -61.78 -44.02 97.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -73.34 -24.5 60.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.558 ' OD2' HG21 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -61.12 -52.85 63.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.881 HD21 HD11 ' A' ' 13' ' ' ILE . 55.1 mt -83.72 5.52 24.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.68 15.33 68.6 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.433 1.083 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' ALA . 77.3 mt -82.78 172.87 12.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.1 m -110.16 154.22 23.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.752 ' O ' HD12 ' A' ' 42' ' ' ILE . 1.4 mm? -47.21 -64.46 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.1 ttp-105 -38.47 -52.72 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -56.6 -51.82 67.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.703 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -60.51 -26.0 66.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.752 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.1 mp -79.77 -52.59 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 p -54.9 -43.03 72.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.158 . . . . 0.0 110.405 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -85.35 9.63 14.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 40.15 90.59 0.01 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.797 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -101.11 128.65 47.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.52 ' CG ' HD23 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -142.33 159.93 41.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.915 HG21 ' HB3' ' A' ' 57' ' ' LEU . 7.6 mm -92.83 132.16 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.543 HD21 ' CB ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -79.57 166.32 22.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.1 m -76.37 149.63 36.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.74 66.19 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.01 -59.11 2.06 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -135.51 -63.35 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 0.781 . . . . 0.0 109.354 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.79 162.74 22.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.526 ' C ' HD12 ' A' ' 56' ' ' LEU . 14.8 tt0 -115.13 113.98 24.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 56' ' ' LEU . 5.3 mp -111.18 18.72 19.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.915 ' HB3' HG21 ' A' ' 48' ' ' ILE . 13.0 mt -137.36 149.18 46.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.6 119.37 4.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.797 HD23 ' O ' ' A' ' 46' ' ' ALA . 10.3 tp -84.13 121.99 28.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 1.4 mm-40 -50.78 -55.44 16.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 4.2 tt0 89.34 -27.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.335 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.467 ' CG ' ' OE2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -96.21 -13.11 23.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.655 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -119.12 -40.45 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.042 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.37 41.78 5.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.555 1.16 . . . . 0.0 110.976 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.483 ' O ' HD12 ' A' ' 59' ' ' LEU . 40.5 m-20 -129.92 162.0 29.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.626 ' CD2' HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -95.82 107.68 19.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.616 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.5 mm? -102.35 150.78 22.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.875 HD22 HD11 ' A' ' 72' ' ' LEU . 4.3 mt -89.15 164.46 15.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -47.42 8.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.506 ' HA ' ' CG ' ' A' ' 23' ' ' ARG . 3.5 pt-20 -159.22 -174.47 4.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.34 122.01 12.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.887 ' HB3' HD11 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -57.62 146.5 30.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.605 ' O ' HD12 ' A' ' 77' ' ' LEU . 2.3 t0 -104.57 131.47 51.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 78' ' ' CYS . 11.1 mtm180 -63.05 -51.14 67.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 76' ' ' GLU . 1.5 mt-10 -55.3 -66.58 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.35 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 75' ' ' GLU . 2.8 tt0 -38.86 -60.54 0.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.887 HD11 ' HB3' ' A' ' 72' ' ' LEU . 4.3 mt -62.87 -76.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 74' ' ' ARG . 1.6 p -162.69 -62.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 108.287 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.3 -50.13 2.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.56 -45.57 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 0.726 . . . . 0.0 109.996 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 97.8 m -57.9 149.36 22.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.505 ' CB ' ' HA ' ' A' ' 83' ' ' PRO . 6.1 m-20 -127.3 161.66 53.05 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.505 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 18.5 Cg_endo -74.97 173.75 56.24 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.058 -0.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.55 71.01 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.341 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.403 HG23 ' H ' ' A' ' 103' ' ' ILE . 61.4 mt -114.5 135.09 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.597 ' HB3' HD12 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -73.58 153.32 40.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -112.43 117.16 31.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.614 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -151.0 173.71 13.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -154.79 167.01 31.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.864 ' CG2' HD21 ' A' ' 30' ' ' LEU . 24.6 t -118.19 112.94 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.761 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 5.2 tp -93.74 135.99 34.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.489 HD12 ' NE2' ' A' ' 97' ' ' GLN . 89.8 mt -124.43 149.44 46.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 94' ' ' SER . 5.2 mttm -98.07 174.63 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 93' ' ' LYS . 24.7 p -35.47 111.77 0.46 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.429 ' C ' ' O ' ' A' ' 93' ' ' LYS . 18.5 Cg_endo -75.0 122.25 8.05 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.943 -2.524 . . . . 0.0 111.02 0.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 19.1 t -55.58 137.5 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.489 ' NE2' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -159.57 160.01 33.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.761 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 35.9 m-85 -142.44 155.28 45.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.936 HG23 HG21 ' A' ' 12' ' ' THR . 4.9 mp -136.47 166.13 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.615 ' O ' HG22 ' A' ' 12' ' ' THR . 5.4 mt-30 -136.54 92.58 2.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.08 -169.16 36.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -146.4 156.62 43.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.597 HD12 ' HB3' ' A' ' 86' ' ' LEU . 30.3 mt -123.68 106.25 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -90.98 132.63 35.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -85.97 119.71 26.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -46.86 131.05 12.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -55.24 139.11 43.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 p -40.27 152.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -113.34 134.64 54.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -178.95 138.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -120.55 115.93 24.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.572 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -172.06 123.02 0.49 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 154.15 42.26 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.454 ' O ' ' CG ' ' A' ' 114' ' ' GLU . 1.6 pt-20 -118.58 75.65 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.499 ' O ' ' CG ' ' A' ' 115' ' ' PHE . 24.0 p90 -43.98 117.96 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.02 126.01 46.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -80.67 140.08 35.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -170.12 132.76 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -156.7 142.66 17.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 59.8 p -157.01 118.84 3.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -138.6 122.6 2.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 170.11 21.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.4 m -139.99 -58.28 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.8 m -52.84 156.5 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.957 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.028 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.2 p -166.34 129.59 2.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 0.744 . . . . 0.0 110.039 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.52 170.15 22.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.14 -161.45 10.26 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.16 -58.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 0.0 109.966 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.73 159.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.82 -83.38 0.06 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 65.45 161.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 47.44 -140.17 8.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 70.84 173.66 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 0.0 109.964 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -46.8 130.01 11.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 1.005 HG23 HG13 ' A' ' 13' ' ' ILE . 5.8 t -102.95 -32.54 9.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.444 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 1.005 HG13 HG23 ' A' ' 12' ' ' THR . 11.2 mt -130.91 152.41 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p -134.76 116.79 15.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.425 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.89 ' CD2' HG12 ' A' ' 27' ' ' VAL . 5.1 m-85 -99.41 157.94 16.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.0 p -132.44 106.6 7.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.514 ' CG2' HG21 ' A' ' 21' ' ' THR . 3.9 p -126.9 133.02 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.71 -169.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.87 -27.51 16.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.426 ' O ' ' CG ' ' A' ' 20' ' ' GLU . 4.8 pt-20 -74.46 61.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.601 ' HB ' HD13 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -102.78 -179.19 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.434 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 168.05 -161.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' CA ' ' HA ' ' A' ' 70' ' ' GLU . 0.3 OUTLIER -78.69 58.65 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.09 42.65 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.507 1.13 . . . . 0.0 111.036 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.634 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -119.0 136.38 54.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.775 . . . . 0.0 109.978 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.49 HD12 ' H ' ' A' ' 28' ' ' GLY . 3.3 tp -84.9 112.69 20.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.89 HG12 ' CD2' ' A' ' 15' ' ' TYR . 75.0 t -76.98 -40.53 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.49 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 164.77 -161.34 34.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.405 ' C ' ' OH ' ' A' ' 15' ' ' TYR . 8.0 m120 -107.93 142.77 37.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.653 HD21 HG22 ' A' ' 90' ' ' VAL . 6.1 tp -109.3 -53.27 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.616 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -77.05 -41.85 40.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -18.43 64.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.82 -73.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.417 HD21 ' CD1' ' A' ' 13' ' ' ILE . 3.9 mm? -62.29 -16.36 53.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.52 15.93 48.26 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.478 HD22 HH22 ' A' ' 44' ' ' ARG . 24.1 mt -83.74 156.85 22.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.8 157.68 16.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.971 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.705 ' O ' HD12 ' A' ' 42' ' ' ILE . 3.0 mm? -49.34 -61.28 2.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.838 ' O ' HG23 ' A' ' 43' ' ' THR . 4.2 ttp180 -38.66 -57.86 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.21 -48.05 65.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.616 ' HG ' ' HB2' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -66.27 -24.32 66.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.705 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -80.05 -53.86 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.838 HG23 ' O ' ' A' ' 39' ' ' ARG . 66.5 p -48.66 -46.13 39.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.478 HH22 HD22 ' A' ' 36' ' ' LEU . 35.0 mtm180 -85.9 12.51 9.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.87 88.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.764 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -94.98 124.73 39.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.605 ' CG ' HD23 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -138.28 159.36 42.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.256 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.807 HG21 ' HB3' ' A' ' 57' ' ' LEU . 10.5 mm -92.36 131.22 40.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.565 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -77.33 156.82 31.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.0 t -78.88 152.92 30.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.488 ' HZ3' HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -63.95 -70.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.91 -45.46 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -98.6 -61.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.4 160.51 36.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -86.2 132.11 34.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.256 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.458 ' CD1' ' HD3' ' A' ' 51' ' ' LYS . 1.3 mp -122.02 20.05 10.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.807 ' HB3' HG21 ' A' ' 48' ' ' ILE . 16.0 mt -138.64 151.58 47.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.6 tt0 -155.24 116.7 4.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 46' ' ' ALA . 14.4 tp -88.21 101.53 13.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -38.29 -56.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.615 ' O ' HD12 ' A' ' 38' ' ' LEU . 2.3 tt0 86.33 -13.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.05 -30.38 15.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.422 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -112.65 -28.0 7.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.048 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.01 43.39 6.36 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.5 ' O ' HD22 ' A' ' 67' ' ' LEU . 30.4 m-20 -127.24 152.48 47.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.776 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.673 HD23 HD22 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -90.74 106.99 18.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.5 HD22 ' O ' ' A' ' 65' ' ' ASN . 2.3 mm? -103.63 151.43 22.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.634 HD12 ' HB3' ' A' ' 25' ' ' SER . 2.2 mt -88.18 162.97 16.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.422 ' CB ' ' HA ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -78.67 -48.31 15.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.454 ' HA ' ' CA ' ' A' ' 23' ' ' ARG . 5.9 pt-20 -173.51 -174.83 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -42.69 119.07 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.869 ' HB3' HD11 ' A' ' 77' ' ' LEU . 1.5 mm? -66.43 124.08 21.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -78.05 125.62 29.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -79.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -38.91 -55.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.32 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -41.05 -47.75 3.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.869 HD11 ' HB3' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -81.22 -74.7 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -149.76 -75.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 108.316 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . 103.6 80.54 1.44 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 0.2 OUTLIER 82.03 -56.34 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 110.006 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.9 m -44.98 155.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.465 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 0.8 OUTLIER -131.31 158.52 75.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.2 Cg_endo -75.08 -174.63 14.5 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.959 -2.517 . . . . 0.0 110.985 0.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.15 70.99 1.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 108.276 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.473 HG23 ' H ' ' A' ' 103' ' ' ILE . 88.9 mt -113.41 122.91 68.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.776 HD23 ' N ' ' A' ' 87' ' ' HIS . 3.0 tt -72.4 128.78 36.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.776 ' N ' HD23 ' A' ' 86' ' ' LEU . 6.6 p-80 -90.35 118.74 30.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.62 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.429 ' CD1' HG13 ' A' ' 103' ' ' ILE . 6.3 p90 -144.58 175.91 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.444 ' CG ' ' O ' ' A' ' 99' ' ' ILE . 2.7 mp0 -153.4 166.48 32.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.277 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.653 HG22 HD21 ' A' ' 30' ' ' LEU . 24.6 t -119.16 114.8 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.751 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 4.5 tp -90.35 135.35 33.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 93.4 mt -126.42 152.18 46.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 94' ' ' SER . 9.6 mttt -101.12 174.8 5.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 93' ' ' LYS . 0.8 OUTLIER -31.9 109.09 0.29 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.1 Cg_endo -75.05 122.8 8.49 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.973 -2.511 . . . . 0.0 110.983 0.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 12.5 t -64.0 134.7 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.244 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.419 ' HG2' ' N ' ' A' ' 98' ' ' PHE . 40.3 tt0 -169.95 156.78 6.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.751 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 7.7 m-85 -127.18 158.69 36.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.953 HG23 HG21 ' A' ' 12' ' ' THR . 4.5 mp -128.36 162.46 34.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.609 ' O ' HG22 ' A' ' 12' ' ' THR . 6.3 mt-30 -128.25 88.64 2.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -94.88 -176.73 38.13 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -136.03 165.67 25.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 0.803 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.473 ' H ' HG23 ' A' ' 85' ' ' ILE . 8.1 mt -137.45 103.71 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -98.27 152.88 18.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.405 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 3.0 tp -89.44 126.6 35.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.245 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -39.51 106.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -175.63 135.2 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.255 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.3 p -41.5 161.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -105.57 93.52 4.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -149.86 141.57 23.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -169.44 114.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.617 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -169.89 130.15 0.93 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.91 19.36 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -104.02 142.64 34.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -159.95 -176.04 5.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.37 142.26 26.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -173.9 144.18 1.01 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.43 103.89 1.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -167.84 132.34 1.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 t -179.75 108.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.959 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -164.86 131.58 2.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.85 32.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.83 141.94 33.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.26 164.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.125 . . . . 0.0 111.027 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.58 132.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.999 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -168.26 167.45 12.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.14 -164.12 38.31 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.35 165.9 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.96 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -140.42 171.43 14.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.022 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.66 95.39 0.16 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.31 174.31 14.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.65 159.49 4.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.9 m -144.86 155.08 43.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 110.029 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.446 ' CB ' ' HG3' ' A' ' 102' ' ' GLU . . . -127.36 130.11 48.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 1.011 HG23 HG13 ' A' ' 13' ' ' ILE . 4.8 t -99.75 -32.68 10.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.37 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 1.011 HG13 HG23 ' A' ' 12' ' ' THR . 7.3 mt -128.42 147.26 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p -136.22 117.47 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.414 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.76 ' HD2' HG12 ' A' ' 27' ' ' VAL . 3.1 m-85 -98.7 170.61 8.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.6 p -131.14 117.72 19.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.049 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.445 HG12 HG23 ' A' ' 103' ' ' ILE . 8.9 p -160.84 140.02 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.66 -162.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.51 -25.14 10.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.29 35.71 2.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.502 ' HB ' ' CD1' ' A' ' 68' ' ' LEU . 3.3 m -49.81 132.32 22.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.401 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -65.05 161.67 18.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -67.89 134.73 51.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.47 50.28 50.73 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.565 1.166 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.05 136.67 51.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 0.754 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 27' ' ' VAL . 1.3 tp -66.39 112.39 4.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.76 HG12 ' HD2' ' A' ' 15' ' ' TYR . 50.4 t -77.88 -42.46 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.56 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 172.5 173.17 38.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 7.3 m-80 -92.29 136.5 33.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.662 HD21 ' CG2' ' A' ' 90' ' ' VAL . 7.9 tp -108.9 -38.57 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.575 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -78.02 -28.31 49.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.19 -15.81 27.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -72.91 -52.22 15.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.788 HD21 HD11 ' A' ' 13' ' ' ILE . 21.8 mt -83.6 6.41 20.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.31 16.5 64.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.8 mt -78.05 170.7 16.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.9 t -107.86 154.32 21.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.785 HD21 ' O ' ' A' ' 63' ' ' SER . 1.9 mm? -49.45 -62.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.425 ' O ' HG23 ' A' ' 43' ' ' THR . 9.9 ttt-85 -42.58 -46.27 4.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.7 -46.75 89.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.798 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -66.55 -24.56 66.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.723 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.1 mp -81.38 -46.45 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 39' ' ' ARG . 7.8 p -61.56 -44.15 97.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.4 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 -83.8 -0.09 49.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 39.77 79.87 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.547 1.154 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.943 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -89.41 124.58 34.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 0.753 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.776 ' CD ' HD23 ' A' ' 91' ' ' LEU . 13.8 pt20 -127.6 154.11 45.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.875 HG21 ' HB3' ' A' ' 57' ' ' LEU . 48.9 mm -90.63 138.39 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.1 mt -115.97 105.75 13.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.0 m -137.08 98.47 3.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm 65.05 113.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -84.66 52.2 4.67 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 t30 176.86 40.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.68 -65.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 77.2 101.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mp -111.33 13.13 21.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.875 ' HB3' HG21 ' A' ' 48' ' ' ILE . 14.9 mt -149.52 145.0 26.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.94 119.64 4.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.943 HD23 ' O ' ' A' ' 46' ' ' ALA . 6.2 tp -86.15 113.37 22.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.51 ' HB2' HD21 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -40.6 -50.65 3.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 3.8 tt0 85.3 -46.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.77 -6.9 54.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.785 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -125.27 -45.34 1.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.42 50.82 1.8 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.57 ' O ' HD22 ' A' ' 67' ' ' LEU . 38.1 m-20 -146.96 153.62 40.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.756 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -86.4 118.75 26.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.57 HD22 ' O ' ' A' ' 65' ' ' ASN . 1.8 mm? -109.89 134.22 52.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.704 HD13 HD21 ' A' ' 72' ' ' LEU . 53.0 mt -74.89 151.8 38.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.406 ' CE ' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -94.46 -33.14 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -165.1 -174.18 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -71.78 120.1 16.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.704 HD21 HD13 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -61.89 103.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.45 ' O ' HD12 ' A' ' 77' ' ' LEU . 25.3 m-20 -47.51 140.22 6.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -79.04 -72.24 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -50.89 -53.15 35.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.243 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' C ' ' CD ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -41.77 -67.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 72' ' ' LEU . 11.6 mt -68.32 -76.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 7.0 p -173.61 100.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 108.267 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.96 107.65 1.01 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.3 t 41.54 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 0.722 . . . . 0.0 109.966 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.471 ' CG2' ' N ' ' A' ' 82' ' ' ASN . 1.3 m -141.66 168.45 19.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.437 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.493 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 4.1 m120 -141.98 145.38 35.97 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.4 Cg_endo -74.98 -5.95 21.87 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.018 -0.045 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 22.6 t 43.95 86.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 108.286 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.4 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 33.5 mt -113.24 136.58 49.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.475 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -71.92 152.36 42.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -109.98 109.86 20.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.629 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.501 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.5 p90 -146.07 170.56 16.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -154.94 143.33 20.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.662 ' CG2' HD21 ' A' ' 30' ' ' LEU . 94.5 t -88.55 116.57 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.776 HD23 ' CD ' ' A' ' 47' ' ' GLN . 5.4 tp -95.55 136.84 35.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.523 ' N ' HD12 ' A' ' 91' ' ' LEU . 39.9 mt -125.88 146.36 49.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 94' ' ' SER . 13.7 mttt -99.37 173.25 6.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 93' ' ' LYS . 22.8 p -34.15 110.94 0.39 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.3 Cg_endo -75.03 122.9 8.57 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.988 0.047 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 24.0 t -56.58 135.48 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.628 ' OE1' HD11 ' A' ' 99' ' ' ILE . 4.0 tm0? -161.29 153.0 19.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.67 ' C ' HD12 ' A' ' 99' ' ' ILE . 48.9 m-85 -136.64 150.82 48.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.866 HG23 HG21 ' A' ' 12' ' ' THR . 3.8 mp -128.26 162.9 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.985 ' O ' HG22 ' A' ' 12' ' ' THR . 4.8 pt20 -118.82 94.57 4.5 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.501 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -100.07 176.06 27.83 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.446 ' HG3' ' CB ' ' A' ' 11' ' ' ALA . 20.6 mt-10 -142.81 155.46 44.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.773 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.475 ' HB ' ' CB ' ' A' ' 86' ' ' LEU . 19.7 mt -123.87 102.07 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -78.44 148.73 33.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 107' ' ' ASP . 1.3 tp -84.63 128.98 34.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 105' ' ' LEU . 0.1 OUTLIER -38.21 96.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 105' ' ' LEU . 1.8 p-10 -63.13 108.89 1.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.486 ' O ' HG12 ' A' ' 108' ' ' VAL . 10.4 t -89.82 90.38 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.56 167.38 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -77.56 98.42 5.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.52 172.67 12.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.629 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . . . -115.03 142.79 29.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -75.01 -175.8 2.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.39 149.93 3.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -93.83 147.44 23.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 111.048 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.93 154.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.13 158.49 16.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -110.04 119.47 39.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -91.67 144.49 25.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.248 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 t -133.88 163.54 29.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -138.75 118.57 1.6 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 166.27 29.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.6 m -131.7 167.2 19.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.0 p -169.75 166.54 9.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.955 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 m 61.72 154.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.979 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.66 166.19 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.0 -171.81 25.22 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.73 154.56 33.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 0.795 . . . . 0.0 110.022 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -177.98 114.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.989 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.56 153.4 2.15 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -116.56 166.91 11.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.91 87.88 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.1 m -152.39 169.24 23.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 0.794 . . . . 0.0 109.994 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.04 131.08 23.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.999 HG23 HG13 ' A' ' 13' ' ' ILE . 6.0 t -105.48 -32.18 8.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.999 HG13 HG23 ' A' ' 12' ' ' THR . 18.0 mt -126.82 149.22 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -136.64 117.16 13.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.855 ' HD2' HG12 ' A' ' 27' ' ' VAL . 3.7 m-85 -100.89 159.1 15.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.3 p -128.14 114.86 17.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.66 ' CG2' HG21 ' A' ' 21' ' ' THR . 4.0 p -138.25 131.88 41.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -165.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.2 -28.56 13.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.37 57.63 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.66 HG21 ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -106.11 127.2 53.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.404 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 24' ' ' GLY . 0.5 OUTLIER -134.71 159.0 42.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -38.36 98.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 118.07 40.84 0.67 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.746 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -116.12 137.33 52.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.954 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.527 HD12 ' H ' ' A' ' 28' ' ' GLY . 2.1 tp -83.04 113.09 20.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.855 HG12 ' HD2' ' A' ' 15' ' ' TYR . 85.7 t -83.36 -37.27 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.527 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 156.48 166.18 15.86 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.43 ' OD1' ' N ' ' A' ' 33' ' ' ASP . 12.7 p30 -90.16 146.04 24.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.719 HD13 HD11 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -111.0 -49.88 2.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.589 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -60.38 -22.52 63.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.5 -35.6 12.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.535 ' OD2' ' CE1' ' A' ' 15' ' ' TYR . 12.3 m-20 -56.39 -58.99 5.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.744 HD21 ' CD1' ' A' ' 13' ' ' ILE . 11.0 mt -69.91 -10.02 57.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.35 20.21 77.33 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.6 mt -83.72 178.76 7.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.1 m -114.53 148.29 38.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.903 HD21 ' O ' ' A' ' 63' ' ' SER . 0.9 OUTLIER -41.34 -64.13 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.776 ' O ' HG23 ' A' ' 43' ' ' THR . 25.8 ttt180 -42.25 -50.01 4.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -48.09 78.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 1.045 HD13 ' HB3' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -63.02 -23.7 67.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.693 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -84.07 -47.2 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.776 HG23 ' O ' ' A' ' 39' ' ' ARG . 47.3 p -54.7 -50.37 68.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -85.96 6.9 26.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 110.307 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.13 83.49 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.045 ' HB3' HD13 ' A' ' 41' ' ' LEU . . . -96.02 119.21 34.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 0.737 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.564 ' CD ' HD23 ' A' ' 91' ' ' LEU . 8.9 pt20 -122.93 167.76 13.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.823 HG21 ' HB3' ' A' ' 57' ' ' LEU . 21.2 mm -98.33 133.48 40.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 49' ' ' LEU . 13.9 mt -117.45 108.18 15.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.1 t -134.53 108.45 8.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.412 ' NZ ' ' HG3' ' A' ' 76' ' ' GLU . 1.2 mtmt 72.02 -64.0 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.13 -61.01 0.31 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -62.1 -46.04 90.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -128.97 79.14 1.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.47 132.44 53.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mt -115.01 11.1 16.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.823 ' HB3' HG21 ' A' ' 48' ' ' ILE . 8.4 mt -139.61 149.76 44.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -155.49 115.39 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.446 ' CB ' HG12 ' A' ' 48' ' ' ILE . 1.4 tp -79.06 144.29 34.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.5 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 1.6 mt-10 -98.06 103.66 15.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -76.7 1.0 18.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.95 0.84 39.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.903 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -151.3 -55.47 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.989 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . 111.87 54.31 0.5 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -139.83 157.05 46.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.719 HD11 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -92.7 113.19 25.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.5 ' CD2' ' HB2' ' A' ' 60' ' ' GLU . 2.5 mm? -107.5 139.26 42.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.746 HD12 ' HB3' ' A' ' 25' ' ' SER . 3.6 mt -79.72 163.98 24.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.04 -53.06 4.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -153.96 -177.81 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -55.63 124.96 19.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.739 HD11 HD22 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -64.39 104.66 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.55 127.17 17.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 78' ' ' CYS . 0.0 OUTLIER -75.26 -14.39 60.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -87.76 -58.92 2.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.412 ' HG3' ' NZ ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -44.48 -63.83 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.266 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 mt -71.63 -78.23 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 74' ' ' ARG . 1.9 p -179.35 -41.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 108.282 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 108.57 -58.47 0.39 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 43.3 t 179.09 61.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 0.795 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.507 ' CG2' ' O ' ' A' ' 81' ' ' THR . 0.3 OUTLIER -118.98 6.99 11.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.494 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 15.0 t-20 61.32 140.02 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.4 Cg_endo -75.01 -26.92 8.78 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.042 0.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 61.2 70.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 108.297 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.413 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 69.6 mt -122.22 131.49 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.402 1.064 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.477 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -72.03 134.49 45.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -97.97 115.45 28.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.62 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.514 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.6 p90 -150.65 171.79 16.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -154.89 148.49 25.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.486 HG21 HD21 ' A' ' 30' ' ' LEU . 87.0 t -91.55 121.9 42.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.746 HD13 ' CE1' ' A' ' 98' ' ' PHE . 7.5 tp -97.1 136.29 37.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 91' ' ' LEU . 85.0 mt -125.19 146.88 49.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 94' ' ' SER . 8.1 mttm -98.53 174.83 6.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 93' ' ' LYS . 21.8 p -34.66 111.09 0.41 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.4 Cg_endo -75.03 122.36 8.13 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.981 0.023 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 35.8 t -56.06 139.02 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.792 ' OE1' HD11 ' A' ' 99' ' ' ILE . 9.2 tm0? -165.64 157.63 14.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.746 ' CE1' HD13 ' A' ' 91' ' ' LEU . 96.4 m-85 -138.17 147.98 44.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.902 HG23 HG21 ' A' ' 12' ' ' THR . 4.2 mp -125.52 160.21 32.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.94 ' O ' HG22 ' A' ' 12' ' ' THR . 3.0 mt-30 -116.26 100.32 7.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.514 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -101.3 178.12 27.7 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -145.11 161.44 39.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.736 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.667 HD11 HD11 ' A' ' 57' ' ' LEU . 9.2 mt -133.33 106.0 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -94.64 151.83 18.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tp -84.95 128.7 34.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.38 114.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -61.89 142.1 57.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.3 t -90.29 103.87 14.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 41.0 p-10 -170.93 162.32 7.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.11 114.39 16.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -104.5 163.3 12.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.598 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -163.84 141.59 5.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 160.12 40.62 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -128.37 138.74 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -168.92 164.37 11.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -171.82 168.0 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 111.051 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -161.12 149.18 15.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 110.303 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.11 158.46 30.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 120' ' ' SER . 6.3 tt0 -153.15 137.98 17.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.408 ' N ' ' HG2' ' A' ' 119' ' ' GLU . 9.2 p -178.21 162.19 1.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.052 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -140.91 110.74 0.68 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 177.07 9.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.03 143.11 13.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.9 p -165.65 169.06 15.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.035 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 110.953 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 p -168.93 -58.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.995 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.92 160.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.99 150.21 7.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.6 p -155.36 152.96 29.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.5 146.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.9 -115.56 0.33 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.535 1.147 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 66.23 164.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.61 164.13 13.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.44 -49.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 109.965 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -118.48 131.65 56.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.998 HG23 HG13 ' A' ' 13' ' ' ILE . 8.0 t -104.8 -32.21 8.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.998 HG13 HG23 ' A' ' 12' ' ' THR . 19.6 mt -128.07 150.92 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -136.43 117.65 14.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.382 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.845 ' HD2' HG12 ' A' ' 27' ' ' VAL . 3.1 m-85 -101.95 169.05 9.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.967 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.6 p -130.02 105.25 7.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.955 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.733 HG12 HG23 ' A' ' 103' ' ' ILE . 12.3 p -149.0 146.3 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.02 -160.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.363 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.57 -25.53 9.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.3 44.9 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.49 ' CG2' HD11 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -57.42 126.62 28.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.435 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -58.86 172.23 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -77.09 138.32 39.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.93 51.19 53.6 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.474 1.108 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.95 139.29 50.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 0.793 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.804 HD13 ' HB3' ' A' ' 65' ' ' ASN . 7.7 tp -68.66 109.29 3.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.853 HG21 HD21 ' A' ' 57' ' ' LEU . 73.9 t -74.14 -50.76 26.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.533 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . -179.93 168.39 38.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -87.34 141.31 28.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.328 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.105 HD21 HG21 ' A' ' 90' ' ' VAL . 7.7 tp -116.93 -64.5 1.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.6 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -60.14 -27.81 67.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -89.45 -24.06 21.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -64.44 -68.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.585 HD21 ' CD1' ' A' ' 13' ' ' ILE . 4.4 mm? -62.78 -14.33 43.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.73 20.51 53.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ALA . 77.6 mt -79.25 168.98 18.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.16 142.93 34.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.887 ' O ' HD12 ' A' ' 42' ' ' ILE . 2.7 mm? -43.35 -52.89 5.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -49.35 -51.46 34.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.343 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.08 -45.79 79.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.774 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -66.39 -27.32 67.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.887 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -78.81 -50.47 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.414 ' HG1' ' H ' ' A' ' 44' ' ' ARG . 6.6 p -52.44 -48.4 65.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.405 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.414 ' H ' ' HG1' ' A' ' 43' ' ' THR . 79.7 mtm-85 -85.48 9.68 15.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' ARG . . . 35.91 85.36 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.132 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.774 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -95.24 127.36 41.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.753 ' CD ' HD23 ' A' ' 91' ' ' LEU . 7.8 pt20 -133.57 154.56 50.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.57 HG21 ' HB3' ' A' ' 57' ' ' LEU . 23.9 mm -91.1 131.03 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -105.33 105.08 14.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.66 100.12 4.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.973 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.55 178.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.402 ' O ' ' CB ' ' A' ' 53' ' ' ASN . . . -124.61 146.66 16.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.1 t30 74.7 -68.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.94 63.56 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -45.4 151.83 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt -115.59 -47.18 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.853 HD21 HG21 ' A' ' 27' ' ' VAL . 18.0 mt -107.88 154.01 22.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -155.1 111.16 3.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.65 HD23 ' O ' ' A' ' 46' ' ' ALA . 1.9 tp -82.14 129.19 34.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.6 OUTLIER -58.94 -50.75 72.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.88 ' O ' HD11 ' A' ' 42' ' ' ILE . 1.6 mt-30 86.44 -15.95 0.44 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.39 -13.94 15.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.412 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -116.18 -35.65 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.629 ' N ' HD11 ' A' ' 38' ' ' LEU . . . 87.73 38.62 7.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.127 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.804 ' HB3' HD13 ' A' ' 26' ' ' LEU . 20.4 m120 -133.09 160.98 35.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.754 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -94.79 116.79 29.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.597 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.6 mm? -107.89 144.89 34.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.688 HD22 HD11 ' A' ' 72' ' ' LEU . 20.8 mt -83.45 150.68 25.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -87.21 -42.12 13.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -162.29 -175.07 4.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -63.45 116.1 5.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.688 HD11 HD22 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -54.44 116.55 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.567 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -56.85 123.53 15.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -59.22 3.11 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -55.63 -59.41 4.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -40.2 -66.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 73' ' ' ASP . 8.7 mt -60.08 -78.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.9 -70.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 108.299 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 141.96 -118.41 1.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 t -106.14 58.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.015 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.493 HG22 ' N ' ' A' ' 82' ' ' ASN . 6.0 m -117.9 170.74 8.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.493 ' N ' HG22 ' A' ' 81' ' ' THR . 15.4 p-10 -130.93 147.51 66.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.4 Cg_endo -74.89 -30.92 5.66 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.029 -0.109 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.2 t 67.95 64.3 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.308 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 56.4 mt -92.0 133.92 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.472 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -72.0 151.97 42.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -114.03 111.64 21.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.591 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.572 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.5 p90 -145.62 172.55 13.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -152.75 158.72 42.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 1.105 HG21 HD21 ' A' ' 30' ' ' LEU . 15.0 t -106.51 107.13 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.753 HD23 ' CD ' ' A' ' 47' ' ' GLN . 6.2 tp -78.02 136.31 37.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.513 ' N ' HD12 ' A' ' 91' ' ' LEU . 90.5 mt -127.1 149.77 49.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.496 ' O ' ' C ' ' A' ' 94' ' ' SER . 21.9 mttm -103.05 173.76 6.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 93' ' ' LYS . 52.6 p -31.93 109.35 0.29 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.4 Cg_endo -74.97 123.5 9.14 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.051 -2.479 . . . . 0.0 110.995 -0.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.1 t -62.46 134.6 27.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -170.9 154.44 4.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.618 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 9.1 m-85 -125.66 158.42 34.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.974 HG23 HG21 ' A' ' 12' ' ' THR . 4.1 mp -125.27 156.75 34.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.812 ' O ' HG22 ' A' ' 12' ' ' THR . 6.1 mt-30 -110.86 89.18 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.335 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.572 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -93.8 163.63 25.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.404 ' OE2' ' O ' ' A' ' 101' ' ' GLY . 29.7 mm-40 -135.21 156.92 48.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 0.778 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.733 HG23 HG12 ' A' ' 17' ' ' VAL . 14.1 mt -129.01 102.5 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -77.97 139.99 39.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.285 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 106' ' ' GLN . 3.2 tp -73.98 124.19 25.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.412 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -39.15 117.1 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.242 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -61.12 153.71 25.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.405 ' H ' HG22 ' A' ' 108' ' ' VAL . 2.7 m -61.1 137.56 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 168.98 158.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -179.72 147.14 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.32 162.05 16.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.61 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.25 115.93 2.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 138.62 23.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.26 168.86 9.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.53 156.51 26.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.8 ttt -172.65 139.94 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.68 167.97 19.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.82 166.89 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.093 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -178.9 145.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.9 171.11 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -141.21 130.8 4.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.567 1.167 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 177.55 8.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.789 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.76 144.41 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.31 167.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.985 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.145 . . . . 0.0 111.033 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -174.04 170.99 3.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 110.007 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m 59.65 152.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.976 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.37 -119.27 3.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -151.76 -54.35 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 0.793 . . . . 0.0 110.026 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 58.71 169.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.992 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.43 -116.36 0.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 54.22 173.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.4 179.84 27.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.18 -62.04 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.992 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.468 ' CB ' ' HG3' ' A' ' 102' ' ' GLU . . . -116.83 129.85 56.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.972 HG23 HG13 ' A' ' 13' ' ' ILE . 6.9 t -107.36 -32.45 7.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.972 HG13 HG23 ' A' ' 12' ' ' THR . 18.6 mt -129.51 151.55 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -136.1 119.66 17.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.389 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.83 ' HD2' HG12 ' A' ' 27' ' ' VAL . 4.2 m-85 -103.64 159.87 15.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 p -126.36 111.05 14.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.993 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.745 ' CG2' HG21 ' A' ' 21' ' ' THR . 2.7 p -136.93 132.01 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.03 -168.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -95.99 -16.51 21.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 20' ' ' GLU . 1.3 pt-20 -81.53 56.18 2.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.745 HG21 ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -111.35 143.64 41.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 24' ' ' GLY . 3.9 t0 -145.78 -178.85 6.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.6 ptt-85 -58.83 84.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 128.85 46.47 0.18 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.485 1.115 . . . . 0.0 111.049 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.757 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -120.3 136.01 54.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 110.01 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.546 HD12 ' N ' ' A' ' 27' ' ' VAL . 1.9 tp -80.03 114.59 19.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.83 HG12 ' HD2' ' A' ' 15' ' ' TYR . 94.1 t -86.91 -36.92 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.502 ' N ' HD12 ' A' ' 26' ' ' LEU . . . 158.78 166.52 18.0 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 10.3 p30 -91.34 143.93 26.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.752 HD21 HG21 ' A' ' 90' ' ' VAL . 8.4 tp -108.44 -23.77 11.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.481 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -83.67 -31.89 25.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -35.96 20.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.422 ' OD2' ' CE1' ' A' ' 15' ' ' TYR . 4.6 m-20 -50.93 -67.42 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.723 HD21 ' CD1' ' A' ' 13' ' ' ILE . 7.8 mt -62.75 -15.25 52.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.45 19.26 58.87 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ALA . 93.5 mt -86.03 178.34 7.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.777 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.96 158.95 21.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.947 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.031 HD21 ' O ' ' A' ' 63' ' ' SER . 1.4 mm? -47.0 -62.5 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -42.33 -53.71 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.7 -47.79 73.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.844 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -66.1 -24.28 66.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.841 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -79.95 -46.93 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.1 p -56.2 -51.26 68.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.376 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 mtm-85 -79.0 -4.22 48.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.241 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.45 81.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.844 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -95.2 125.21 39.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.258 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -142.78 158.74 43.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.929 HG21 ' HB3' ' A' ' 57' ' ' LEU . 12.8 mm -91.94 125.83 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.573 HD11 ' HB2' ' A' ' 91' ' ' LEU . 10.4 mt -90.18 166.9 13.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.44 ' CB ' ' HB2' ' A' ' 55' ' ' GLN . 12.9 p -76.08 144.7 40.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.641 ' HZ1' HD21 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -45.18 -39.43 6.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 165.73 -53.79 0.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -99.77 -30.17 12.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.87 157.98 43.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.697 ' C ' HD12 ' A' ' 56' ' ' LEU . 31.3 tt0 -106.48 136.7 45.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.738 ' N ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -131.76 20.21 4.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.929 ' HB3' HG21 ' A' ' 48' ' ' ILE . 11.3 mt -143.93 147.64 34.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -155.32 117.48 4.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -86.94 143.6 27.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.476 ' CA ' ' OE1' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -97.62 103.61 15.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.05 -7.19 33.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.11 -10.24 33.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . 1.031 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -133.12 -65.45 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . 119.27 36.31 0.87 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.521 ' O ' HD22 ' A' ' 67' ' ' LEU . 67.6 m-20 -125.27 153.48 43.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.719 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -88.46 117.1 27.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.521 HD22 ' O ' ' A' ' 65' ' ' ASN . 2.1 mm? -108.29 135.78 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.933 HD22 HD11 ' A' ' 72' ' ' LEU . 3.3 mt -81.61 151.34 27.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.27 -38.73 50.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -171.91 -175.05 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -52.68 135.54 34.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.933 HD11 HD22 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -75.99 100.67 4.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.908 ' O ' HD12 ' A' ' 77' ' ' LEU . 5.5 m-20 -40.69 149.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' CYS . 56.9 mtt180 -100.71 -46.43 5.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -62.07 -55.29 30.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -50.16 -58.35 5.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.908 HD12 ' O ' ' A' ' 73' ' ' ASP . 11.1 mt -69.55 -80.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 74' ' ' ARG . 1.6 p -169.19 -43.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 108.304 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.88 -43.57 1.84 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.09 46.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.039 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 81' ' ' THR . 0.4 OUTLIER -113.18 3.16 15.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.491 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 0.4 OUTLIER 58.77 152.57 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.1 Cg_endo -75.09 -22.54 13.87 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.991 -2.504 . . . . 0.0 110.968 0.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 62.13 60.67 1.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 108.292 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.502 HG23 ' H ' ' A' ' 103' ' ' ILE . 69.2 mt -120.02 123.36 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -84.48 114.52 21.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.544 ' N ' HD23 ' A' ' 86' ' ' LEU . 7.4 p80 -100.18 124.23 45.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.627 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.559 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 23.2 p90 -117.72 179.69 3.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -136.85 116.03 12.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.752 HG21 HD21 ' A' ' 30' ' ' LEU . 84.9 t -82.4 120.82 34.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 92' ' ' LEU . 8.2 tp -91.71 133.7 35.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.6 ' N ' HD12 ' A' ' 91' ' ' LEU . 31.2 mt -125.97 145.36 50.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.466 ' O ' ' C ' ' A' ' 94' ' ' SER . 10.7 mttp -98.78 175.08 6.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.492 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 24.7 p -34.17 111.09 0.39 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.492 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.4 Cg_endo -75.02 122.42 8.18 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.998 0.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 24.9 t -59.76 133.4 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.463 ' CG ' ' N ' ' A' ' 98' ' ' PHE . 48.0 tt0 -167.31 163.68 15.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.725 ' C ' HD12 ' A' ' 99' ' ' ILE . 15.4 m-85 -134.99 157.19 47.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.922 HG23 HG21 ' A' ' 12' ' ' THR . 3.5 mp -127.45 164.82 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.544 ' O ' HG22 ' A' ' 12' ' ' THR . 2.4 mt-30 -126.73 81.82 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.559 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -84.15 176.06 51.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.468 ' HG3' ' CB ' ' A' ' 11' ' ' ALA . 11.6 mt-10 -134.25 174.44 10.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.502 ' H ' HG23 ' A' ' 85' ' ' ILE . 4.8 mt -145.63 107.25 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -91.86 134.69 34.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.01 122.26 32.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -54.3 154.75 4.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.07 108.96 19.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.3 t -89.89 149.61 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.5 t30 54.17 90.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 178.91 140.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.99 161.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.603 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.99 115.61 1.54 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 145.21 31.37 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.462 1.769 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -133.95 135.96 43.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -45.16 103.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.03 120.4 18.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.87 132.29 34.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -162.09 104.81 1.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -151.5 144.96 24.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.8 132.83 48.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -62.02 152.74 42.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 57.1 4.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.798 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.0 t -52.49 150.7 4.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.01 92.18 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 p -149.07 111.98 4.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 110.048 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.32 131.63 16.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.72 155.12 26.01 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.52 1.138 . . . . 0.0 111.047 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 t -115.46 -58.98 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 46.39 84.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.82 70.43 0.41 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.06 170.16 12.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.778 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.56 -57.95 5.04 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.65 147.8 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 0.792 . . . . 0.0 110.022 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.409 ' CB ' ' HG2' ' A' ' 102' ' ' GLU . . . -86.25 167.63 14.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.959 HG21 HG23 ' A' ' 99' ' ' ILE . 3.4 t -90.41 -34.02 15.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.823 HG13 HG23 ' A' ' 12' ' ' THR . 6.2 mt -139.51 143.24 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.97 118.95 15.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.345 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.796 ' HD2' HG12 ' A' ' 27' ' ' VAL . 4.7 m-85 -95.41 167.38 11.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 p -123.76 103.94 8.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 0.0 110.013 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.526 HG11 HG13 ' A' ' 27' ' ' VAL . 11.7 p -155.38 145.86 12.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.416 ' N ' ' HB2' ' A' ' 106' ' ' GLN . 0.4 OUTLIER -58.59 -159.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.408 ' HB3' HD13 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -114.83 -24.84 8.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.257 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.95 28.08 8.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.548 ' HB ' HD13 ' A' ' 68' ' ' LEU . 2.3 m -48.01 131.61 15.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.155 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -60.55 156.85 15.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.427 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -71.17 125.77 27.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.36 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.07 38.4 6.82 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.03 144.85 36.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.017 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' ' 27' ' ' VAL . 1.3 tp -75.47 113.33 12.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.796 HG12 ' HD2' ' A' ' 15' ' ' TYR . 45.1 t -82.19 -38.91 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.564 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 167.83 -173.54 42.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.403 ' C ' ' OH ' ' A' ' 15' ' ' TYR . 5.5 p30 -103.6 137.2 41.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.78 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.942 HD21 HG22 ' A' ' 90' ' ' VAL . 8.3 tp -104.29 -41.53 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.594 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -75.66 -46.63 30.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -15.29 62.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.55 -52.34 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.751 HD21 ' CD1' ' A' ' 13' ' ' ILE . 10.7 mt -87.85 13.28 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.29 23.92 60.61 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' ALA . 93.7 mt -85.36 173.1 10.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.34 146.92 36.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.782 ' O ' HD12 ' A' ' 42' ' ' ILE . 1.3 mm? -45.97 -58.59 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -41.59 -49.16 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -53.1 60.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.622 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -58.04 -26.02 61.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 1.178 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.782 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -76.81 -54.83 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.2 p -58.08 -50.06 74.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.402 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -68.42 -11.07 59.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 50.66 83.83 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.453 1.095 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.868 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -96.56 124.72 40.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.656 ' CD ' HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -130.46 156.93 43.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.332 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.632 HG21 ' HB3' ' A' ' 57' ' ' LEU . 14.0 mm -94.82 131.11 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.0 mt -113.78 106.23 14.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.6 m -136.55 122.96 20.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.42 -172.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.76 142.91 14.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 40.91 62.57 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.767 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.66 -68.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 60.25 112.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.418 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 5.2 mp -98.14 -11.25 23.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.632 ' HB3' HG21 ' A' ' 48' ' ' ILE . 25.8 mt -115.8 151.06 35.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -155.32 112.1 3.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 46' ' ' ALA . 3.2 tp -87.52 119.43 27.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 2.2 mm-40 -49.89 -48.79 51.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.622 ' O ' HD11 ' A' ' 42' ' ' ILE . 3.3 tt0 86.01 -11.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.255 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -104.6 -33.17 8.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.351 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -98.01 -28.19 13.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.638 ' N ' HD11 ' A' ' 38' ' ' LEU . . . 79.94 53.3 4.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.487 ' O ' HD12 ' A' ' 59' ' ' LEU . 41.0 m-20 -147.02 169.43 19.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.696 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -99.97 121.09 40.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.541 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.5 mm? -114.99 129.76 56.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.682 HD22 HD21 ' A' ' 72' ' ' LEU . 7.8 mt -72.03 135.97 46.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.565 1.165 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -65.88 -60.39 2.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.427 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 1.6 pt-20 -140.0 -175.09 4.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.8 ttpp -65.92 111.56 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.682 HD21 HD22 ' A' ' 68' ' ' LEU . 1.1 mm? -53.33 123.39 11.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.568 ' O ' HD12 ' A' ' 77' ' ' LEU . 12.4 m-20 -79.04 138.11 37.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 74' ' ' ARG . 2.9 mtm105 -68.59 -61.78 1.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 76' ' ' GLU . 26.1 tt0 -54.26 -54.89 33.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 75' ' ' GLU . 3.4 tt0 -39.09 -63.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.673 HD11 ' HB3' ' A' ' 72' ' ' LEU . 2.6 mt -67.98 -75.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -139.59 -94.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 108.291 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 135.77 -54.16 0.75 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 0.0 111.045 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 86.3 p -153.19 62.54 0.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.959 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.505 ' CG2' ' N ' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -139.0 168.49 19.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.437 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.505 ' N ' ' CG2' ' A' ' 81' ' ' THR . 8.2 t-20 -154.05 141.78 13.82 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.2 Cg_endo -75.06 161.19 95.31 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.971 0.022 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.536 ' CB ' HD22 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -110.07 57.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 108.307 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.59 HG21 ' HB3' ' A' ' 102' ' ' GLU . 36.2 mt -87.35 138.44 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.4 153.79 33.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.506 ' CE1' ' O ' ' A' ' 85' ' ' ILE . 0.8 OUTLIER -115.39 111.8 21.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.649 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.583 ' CE1' ' O ' ' A' ' 101' ' ' GLY . 18.7 p90 -140.73 174.55 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -154.24 137.42 15.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.942 HG22 HD21 ' A' ' 30' ' ' LEU . 40.5 t -90.08 109.33 20.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.822 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 5.5 tp -86.49 137.73 32.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 91' ' ' LEU . 93.8 mt -131.19 150.58 52.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.48 ' O ' ' C ' ' A' ' 94' ' ' SER . 17.5 mttt -100.23 176.52 5.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 93' ' ' LYS . 42.2 p -33.02 109.92 0.33 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.0 122.43 8.19 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.989 -2.505 . . . . 0.0 111.022 0.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.5 t -62.14 128.85 24.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -163.04 158.23 21.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.822 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 48.2 m-85 -133.31 157.93 44.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.959 HG23 HG21 ' A' ' 12' ' ' THR . 3.8 mp -125.11 164.77 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.609 ' O ' HG22 ' A' ' 12' ' ' THR . 9.2 mt-30 -124.54 79.44 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.583 ' O ' ' CE1' ' A' ' 88' ' ' PHE . . . -99.38 145.47 17.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.59 ' HB3' HG21 ' A' ' 85' ' ' ILE . 43.8 mm-40 -109.82 170.26 8.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.544 ' H ' HG23 ' A' ' 85' ' ' ILE . 9.9 mt -129.02 111.51 23.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 15' ' ' TYR . 78.7 mt-30 -73.59 134.91 43.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.536 HD22 ' CB ' ' A' ' 84' ' ' CYS . 2.4 tp -80.53 126.35 31.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.416 ' HB2' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -60.65 121.36 12.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -112.59 141.11 46.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.0 p -42.28 144.75 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -167.66 101.01 0.48 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -177.99 131.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.87 117.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.61 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -170.15 114.61 0.48 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.72 19.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.461 1.769 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.29 119.86 40.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -175.69 98.98 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.06 110.42 22.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 179.08 168.48 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -71.35 177.07 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -144.29 165.53 27.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 94.6 p -89.91 139.3 30.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.15 146.16 26.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.494 1.122 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -175.55 2.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 52.1 p -141.84 128.82 20.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.981 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.3 t -147.76 108.46 4.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.974 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 t -173.89 91.28 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 0.786 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -150.32 143.25 24.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.958 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.72 142.55 8.48 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.67 128.31 20.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 0.735 . . . . 0.0 110.001 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.56 109.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.14 107.3 0.84 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.62 136.73 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 0.769 . . . . 0.0 109.237 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.08 -96.93 2.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.145 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.66 170.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.996 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -47.81 129.28 14.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.97 HG23 HG13 ' A' ' 13' ' ' ILE . 6.0 t -103.03 -29.2 11.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.371 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.97 HG13 HG23 ' A' ' 12' ' ' THR . 10.3 mt -134.97 150.75 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -135.99 117.91 15.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.393 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.821 ' CD2' HG12 ' A' ' 27' ' ' VAL . 6.3 m-85 -98.77 168.35 10.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.1 p -131.94 118.69 20.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.565 HG22 ' CG2' ' A' ' 21' ' ' THR . 9.0 p -145.67 134.75 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.3 -166.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -108.55 -21.38 12.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -99.88 51.64 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.638 ' OG1' HD23 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -65.61 156.35 33.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.426 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.27 -175.97 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.2 mtt85 -78.37 88.28 4.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.12 34.45 1.64 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 111.067 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.44 ' CB ' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -83.96 133.28 34.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.986 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.497 HD12 ' H ' ' A' ' 28' ' ' GLY . 3.2 tp -69.11 111.6 5.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.821 HG12 ' CD2' ' A' ' 15' ' ' TYR . 47.1 t -83.11 -36.81 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.497 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 160.4 -175.49 37.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 2.1 m120 -98.93 141.78 31.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.83 HD21 HG22 ' A' ' 90' ' ' VAL . 12.9 tp -107.57 -56.5 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.543 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -59.95 -48.02 83.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -67.38 -35.27 78.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.503 ' OD2' HG21 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -49.92 -51.53 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.798 HD21 HD11 ' A' ' 13' ' ' ILE . 18.4 mt -90.13 20.08 4.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.37 26.55 9.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' ALA . 88.3 mt -86.03 177.63 7.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 t -112.16 144.86 40.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.879 HD21 ' O ' ' A' ' 63' ' ' SER . 2.4 mm? -42.37 -63.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.814 ' O ' HG23 ' A' ' 43' ' ' THR . 7.6 ttp180 -41.13 -55.26 2.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -51.26 -46.21 62.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.803 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -65.91 -22.54 66.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -85.17 -51.47 13.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.814 HG23 ' O ' ' A' ' 39' ' ' ARG . 52.3 p -50.59 -48.44 57.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.38 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 45' ' ' GLY . 53.0 mtm-85 -85.23 11.05 10.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' ARG . . . 36.55 82.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.803 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -92.8 126.4 37.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.747 ' CD ' HD23 ' A' ' 91' ' ' LEU . 8.6 pt20 -130.87 165.63 22.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.967 HG21 ' HB3' ' A' ' 57' ' ' LEU . 24.5 mm -98.07 137.88 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 48' ' ' ILE . 14.7 mt -122.47 107.81 12.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.23 122.44 33.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.982 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.78 -76.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.32 -115.92 0.58 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.26 -51.44 44.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -96.11 118.4 32.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -107.7 134.95 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mp -95.88 13.29 27.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.967 ' HB3' HG21 ' A' ' 48' ' ' ILE . 9.8 mt -133.84 151.54 51.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.09 123.74 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 46' ' ' ALA . 14.0 tp -84.25 119.19 24.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 2.3 tt0 -42.35 -61.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.646 ' O ' HD12 ' A' ' 38' ' ' LEU . 0.7 OUTLIER 86.9 -43.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.79 2.15 24.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.879 ' O ' HD21 ' A' ' 38' ' ' LEU . 3.5 m -145.66 -46.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.92 53.98 0.83 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.422 ' O ' HD22 ' A' ' 67' ' ' LEU . 76.0 m-80 -137.35 151.99 49.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.362 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.831 HD23 HD22 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -92.74 102.8 15.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.611 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.6 mm? -100.25 147.45 25.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.736 HD13 HD21 ' A' ' 72' ' ' LEU . 12.6 mt -79.4 136.32 36.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.444 ' CD ' ' HG2' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -51.62 -44.18 62.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.444 ' HG2' ' CD ' ' A' ' 69' ' ' LYS . 4.9 pt-20 -176.03 -174.56 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -49.59 127.69 16.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.736 HD21 HD13 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -85.34 138.39 32.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.0 83.63 6.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 78' ' ' CYS . 25.7 mtm180 -39.24 -53.68 1.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -56.35 -63.34 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -42.91 -61.15 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.275 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 72' ' ' LEU . 6.2 mt -62.4 -77.54 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' ARG . 5.2 p -172.01 100.72 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 108.296 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.55 105.91 0.67 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.5 t 41.04 86.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.74 . . . . 0.0 110.054 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.493 HG22 ' N ' ' A' ' 82' ' ' ASN . 3.6 m -133.32 170.45 15.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.494 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 1.6 m-20 -141.43 144.19 32.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.6 Cg_endo -74.95 -17.47 19.89 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.028 -0.106 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.2 t 56.25 92.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 108.322 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.433 ' O ' ' CE1' ' A' ' 87' ' ' HIS . 72.8 mt -121.93 129.96 74.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.459 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -72.31 152.59 42.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.433 ' CE1' ' O ' ' A' ' 85' ' ' ILE . 0.9 OUTLIER -115.13 116.0 27.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.579 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.408 ' O ' ' HG3' ' A' ' 89' ' ' GLN . 12.7 p90 -147.42 163.33 36.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 88' ' ' PHE . 8.5 mt-30 -141.88 137.74 31.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.83 HG22 HD21 ' A' ' 30' ' ' LEU . 12.0 t -86.21 113.63 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.747 HD23 ' CD ' ' A' ' 47' ' ' GLN . 11.2 tp -88.51 134.92 33.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 91' ' ' LEU . 23.9 mt -125.72 146.63 49.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 94' ' ' SER . 13.1 mttt -97.47 175.29 6.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 93' ' ' LYS . 24.7 p -34.97 111.9 0.43 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.3 Cg_endo -75.01 122.61 8.34 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.979 -0.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.1 t -57.63 130.71 20.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.135 . . . . 0.0 109.359 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 98' ' ' PHE . 46.6 tt0 -159.25 152.01 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.695 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 51.1 m-85 -129.35 158.49 38.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.887 HG23 HG21 ' A' ' 12' ' ' THR . 4.7 mp -134.09 164.83 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.601 ' O ' HG22 ' A' ' 12' ' ' THR . 6.0 mt-30 -127.95 85.05 2.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -87.51 -170.44 46.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -148.35 162.08 40.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.74 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.477 HD11 HD11 ' A' ' 57' ' ' LEU . 9.3 mt -131.6 101.94 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -89.47 150.48 22.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.333 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 106' ' ' GLN . 0.3 OUTLIER -87.59 142.13 28.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.524 ' N ' HD12 ' A' ' 105' ' ' LEU . 1.2 mm100 -49.64 145.04 5.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.333 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.22 153.36 20.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.1 t -93.21 117.15 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -178.11 -58.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.57 106.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -169.63 65.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.592 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -112.17 118.21 46.37 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -179.32 4.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.3 145.28 45.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.361 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -159.6 87.19 0.81 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.3 ttt -137.03 15.61 3.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.75 134.93 35.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.27 92.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -170.43 169.15 7.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.42 155.56 0.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.945 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -153.6 162.03 30.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.49 12.69 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.464 1.771 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.5 m -110.11 164.24 12.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.1 p -151.71 165.63 33.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.6 t -158.26 -58.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.974 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.58 156.05 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.69 116.26 1.97 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.41 165.01 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 0.0 110.02 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.53 107.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.038 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.73 88.36 0.08 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -154.22 138.29 16.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 148.34 132.15 2.14 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.79 -60.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 109.981 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -118.08 130.61 56.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.954 HG21 HG23 ' A' ' 99' ' ' ILE . 2.8 t -98.14 -33.3 11.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.747 HG13 HG23 ' A' ' 12' ' ' THR . 14.9 mt -134.37 151.62 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -135.78 124.83 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.887 ' CD2' HG12 ' A' ' 27' ' ' VAL . 8.9 m-85 -107.35 166.48 10.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.9 p -132.39 113.4 13.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.96 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.601 ' CG2' ' CG2' ' A' ' 21' ' ' THR . 7.1 p -135.79 135.91 50.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.34 -168.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.89 -22.46 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -101.71 55.99 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.71 ' OG1' HD23 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -68.46 156.81 37.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.374 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.11 167.58 14.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.448 ' HD3' ' CB ' ' A' ' 70' ' ' GLU . 5.9 mtt85 -58.12 103.25 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.91 36.76 5.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.636 ' CB ' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -81.51 134.83 35.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.785 . . . . 0.0 110.012 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 27' ' ' VAL . 2.8 tp -68.92 112.82 5.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.887 HG12 ' CD2' ' A' ' 15' ' ' TYR . 34.8 t -86.0 -37.58 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.448 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 162.58 -165.29 36.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.415 ' O ' ' OH ' ' A' ' 15' ' ' TYR . 8.9 m-20 -108.83 143.84 37.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.818 HD21 HG22 ' A' ' 90' ' ' VAL . 13.2 tp -111.28 -42.87 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.86 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -82.74 -41.75 18.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -73.78 -15.2 61.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.406 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -66.73 -76.27 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.462 HD21 ' CD1' ' A' ' 13' ' ' ILE . 4.5 mm? -62.63 -14.59 45.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.09 16.45 53.97 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.3 mt -73.97 166.78 22.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.7 m -103.19 151.27 22.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.754 HD21 ' O ' ' A' ' 63' ' ' SER . 2.6 mm? -49.98 -57.61 7.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -36.98 -52.91 0.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.63 -52.47 65.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.86 ' HG ' ' HB2' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -55.37 -25.63 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.625 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -83.6 -60.43 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.4 p -55.65 -39.23 70.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -80.41 4.17 18.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 39.12 73.68 0.16 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.758 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -94.67 124.17 38.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.574 ' CD ' HD23 ' A' ' 91' ' ' LEU . 8.6 pt20 -132.96 169.3 16.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.871 HG21 ' HB3' ' A' ' 57' ' ' LEU . 18.2 mm -101.1 137.86 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.7 mt -117.93 106.81 13.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.4 t -136.65 117.44 14.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.02 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.24 154.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -89.03 143.51 17.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.47 -61.39 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 0.723 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.53 156.42 18.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.32 139.2 46.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.0 18.82 13.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.871 ' HB3' HG21 ' A' ' 48' ' ' ILE . 12.2 mt -148.57 145.97 28.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.05 110.4 3.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.274 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.57 137.82 31.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.601 ' OE2' HD21 ' A' ' 67' ' ' LEU . 14.4 pt-20 -98.18 111.94 24.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.4 -0.07 21.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -13.48 57.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.754 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -141.38 -52.67 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.74 57.71 0.4 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -138.0 152.29 48.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.685 HD23 HD22 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -95.04 107.23 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.601 HD21 ' OE2' ' A' ' 60' ' ' GLU . 1.7 mm? -103.04 155.76 18.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.636 HD12 ' CB ' ' A' ' 25' ' ' SER . 5.1 mt -88.15 142.46 27.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -62.85 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.448 ' CB ' ' HD3' ' A' ' 23' ' ' ARG . 2.9 pt-20 -157.2 -173.98 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -48.82 123.9 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.71 HD23 ' OG1' ' A' ' 21' ' ' THR . 1.1 mm? -77.29 156.28 31.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.478 ' O ' HD12 ' A' ' 77' ' ' LEU . 3.8 m-20 -96.35 115.47 27.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 78' ' ' CYS . 0.9 OUTLIER -59.59 -60.98 2.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 76' ' ' GLU . 7.2 mm-40 -55.55 -62.34 1.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 75' ' ' GLU . 3.5 tt0 -38.65 -61.48 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' ' 72' ' ' LEU . 5.2 mt -67.17 -76.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.43 ' N ' ' O ' ' A' ' 74' ' ' ARG . 1.2 p -163.63 -63.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 108.278 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 124.61 -79.53 0.36 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.563 1.164 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.07 55.37 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 110.008 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.505 HG22 ' N ' ' A' ' 82' ' ' ASN . 19.0 m -114.18 171.18 7.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.505 ' N ' HG22 ' A' ' 81' ' ' THR . 18.8 p30 -132.02 151.24 78.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.4 Cg_endo -75.03 -30.46 6.01 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.007 0.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t 66.2 87.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.283 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.422 HG23 ' H ' ' A' ' 103' ' ' ILE . 68.2 mt -119.45 134.6 62.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.465 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -74.0 153.13 39.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -113.84 114.19 25.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.621 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.412 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 8.6 p90 -146.66 171.5 15.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 99' ' ' ILE . 2.7 mp0 -154.81 136.31 14.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.818 HG22 HD21 ' A' ' 30' ' ' LEU . 15.6 t -85.49 113.5 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.576 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 4.5 tp -88.21 136.89 32.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 91' ' ' LEU . 92.6 mt -125.63 147.78 49.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 94' ' ' SER . 34.6 mttt -100.79 173.15 6.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 93' ' ' LYS . 39.0 p -33.98 110.89 0.38 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.004 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.05 122.74 8.45 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.978 0.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.0 t -57.38 140.1 16.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -168.47 146.08 4.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.576 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 54.7 m-85 -125.7 154.05 42.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.954 HG23 HG21 ' A' ' 12' ' ' THR . 4.2 mp -128.96 165.21 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.63 ' O ' HG22 ' A' ' 12' ' ' THR . 5.2 mt-30 -132.64 86.35 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.345 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.412 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -89.92 -174.42 45.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -140.79 155.31 46.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 110.332 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.465 ' HB ' ' CB ' ' A' ' 86' ' ' LEU . 8.9 mt -125.82 103.1 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -89.91 154.05 20.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 106' ' ' GLN . 1.2 tp -91.27 133.38 35.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.565 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -39.2 131.12 1.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.01 163.08 12.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.1 t -95.45 116.65 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 60.15 98.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -70.71 132.28 45.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -45.21 111.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.631 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.402 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . . . -40.59 138.98 1.18 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 112' ' ' ALA . 18.4 Cg_endo -75.0 131.14 13.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.79 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 115' ' ' PHE . 0.9 OUTLIER -68.42 138.73 55.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 114' ' ' GLU . 0.4 OUTLIER -37.6 156.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.04 13.63 24.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.09 146.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.083 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -137.52 142.8 41.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -98.25 147.55 24.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.275 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.99 166.84 31.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -116.98 143.37 18.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 178.39 7.33 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.22 162.47 19.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.9 p -88.08 159.11 18.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 m 58.75 86.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 110.0 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.82 157.32 46.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.44 148.55 5.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.83 157.03 6.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.752 . . . . 0.0 110.026 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.71 158.88 40.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.049 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.2 167.28 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.92 -57.94 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.8 -179.15 6.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.15 174.68 0.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 0.744 . . . . 0.0 110.054 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.666 ' HB2' ' OE2' ' A' ' 102' ' ' GLU . . . -86.25 130.65 34.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.965 HG23 HG13 ' A' ' 13' ' ' ILE . 4.2 t -99.09 -33.18 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.442 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.965 HG13 HG23 ' A' ' 12' ' ' THR . 5.1 mt -133.37 143.51 38.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 p -137.27 115.03 11.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.799 ' HD2' HG12 ' A' ' 27' ' ' VAL . 3.5 m-85 -97.86 169.06 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.7 p -128.54 115.79 18.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.005 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.409 HG22 ' OG1' ' A' ' 21' ' ' THR . 8.4 p -151.62 155.94 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.83 -174.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.711 ' HG2' HD12 ' A' ' 105' ' ' LEU . 10.9 mt-10 -100.72 -13.35 18.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -122.46 38.12 4.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.637 ' HB ' HD13 ' A' ' 68' ' ' LEU . 1.7 m -55.22 128.96 36.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.17 174.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -80.32 125.45 29.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.6 48.44 6.7 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.488 1.118 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.446 ' CB ' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -108.45 138.74 44.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 109.987 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.625 HD12 ' H ' ' A' ' 28' ' ' GLY . 3.6 tp -70.53 111.32 5.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.799 HG12 ' HD2' ' A' ' 15' ' ' TYR . 48.3 t -80.5 -33.28 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.625 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 157.65 168.29 19.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.456 ' C ' ' HH ' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -93.1 139.77 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.945 HD21 HG21 ' A' ' 90' ' ' VAL . 7.8 tp -104.4 -54.51 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.578 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -60.41 -31.91 70.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -81.44 -34.41 31.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.12 -68.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.504 HD21 ' CD1' ' A' ' 13' ' ' ILE . 4.3 mm? -62.78 -16.15 56.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.37 10.78 70.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' ALA . 27.3 mt -74.02 163.69 27.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.8 m -99.25 142.78 30.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.588 1.18 . . . . 0.0 110.048 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 61' ' ' GLN . 1.6 mm? -41.23 -58.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -39.61 -54.88 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -54.59 -53.55 53.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 0.0 110.295 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.585 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -57.01 -47.08 81.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mt -55.41 -58.88 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.1 p -52.89 -53.15 53.34 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 -64.17 -15.66 60.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.18 76.31 0.2 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.86 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -94.03 125.42 38.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.634 ' CD ' HD23 ' A' ' 91' ' ' LEU . 16.1 pt20 -129.24 158.23 39.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.511 HG21 ' CB ' ' A' ' 57' ' ' LEU . 9.4 mm -92.77 130.71 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.0 mt -99.9 105.17 16.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.42 ' HB3' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -137.47 107.91 6.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.966 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.0 mttm 65.23 173.29 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -81.16 -90.41 0.55 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -76.38 -33.69 58.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -80.86 139.48 35.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.98 136.04 54.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD12 ' HB3' ' A' ' 50' ' ' SER . 1.1 mt -111.4 -34.65 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.688 HD21 HG21 ' A' ' 27' ' ' VAL . 20.3 mt -117.74 160.18 21.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.37 103.35 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.86 HD23 ' O ' ' A' ' 46' ' ' ALA . 15.1 tp -78.69 99.5 6.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.455 ' HG2' ' CD2' ' A' ' 67' ' ' LEU . 15.4 pt-20 -48.54 -38.26 19.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.547 ' O ' HD12 ' A' ' 38' ' ' LEU . 1.2 tt0 74.38 3.33 4.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -81.72 -45.56 15.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.419 ' C ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -124.0 5.02 8.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.028 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.16 47.37 59.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.593 ' ND2' HD22 ' A' ' 26' ' ' LEU . 13.3 m-20 -119.41 149.98 40.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.763 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -92.3 119.08 31.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.455 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 2.2 mm? -111.65 140.07 46.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.637 HD13 ' HB ' ' A' ' 21' ' ' THR . 12.4 mt -81.58 143.45 31.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.409 ' CE ' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -74.91 -42.81 57.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -162.72 -175.6 4.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.65 116.06 3.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.652 ' HB3' HD11 ' A' ' 77' ' ' LEU . 1.5 mm? -60.81 147.41 42.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.603 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -101.98 139.28 37.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -68.26 -73.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.409 ' HA ' ' CA ' ' A' ' 79' ' ' GLY . 19.5 tt0 -42.79 -57.89 2.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -38.93 -68.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.652 HD11 ' HB3' ' A' ' 72' ' ' LEU . 3.6 mt -65.74 -74.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 6.9 p -154.36 91.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.409 ' CA ' ' HA ' ' A' ' 75' ' ' GLU . . . -41.41 -45.18 4.22 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.19 69.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 0.734 . . . . 0.0 110.013 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.9 m -128.21 159.79 34.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.48 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 2.7 t30 -136.91 140.85 32.86 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.48 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.3 Cg_endo -74.97 142.6 75.25 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.025 -2.49 . . . . 0.0 111.013 -0.018 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.63 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -86.61 97.95 10.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 108.332 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 103' ' ' ILE . 86.9 mt -135.24 138.55 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.539 ' HG ' HD22 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -71.71 149.3 45.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -107.21 110.66 22.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.577 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.581 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 4.2 p90 -148.81 169.22 20.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -150.9 163.66 38.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.945 HG21 HD21 ' A' ' 30' ' ' LEU . 42.1 t -109.72 115.02 48.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.718 HD13 ' CE1' ' A' ' 98' ' ' PHE . 8.4 tp -86.6 134.81 33.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.579 ' N ' HD12 ' A' ' 91' ' ' LEU . 95.5 mt -124.82 146.83 49.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 94' ' ' SER . 0.4 OUTLIER -99.27 175.19 5.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.351 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 93' ' ' LYS . 35.5 p -34.88 111.53 0.42 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.02 122.77 8.47 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.99 0.037 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.1 t -57.31 132.67 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.404 ' HG2' ' N ' ' A' ' 98' ' ' PHE . 52.5 tt0 -163.08 159.29 23.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.718 ' CE1' HD13 ' A' ' 91' ' ' LEU . 90.9 m-85 -137.01 155.52 49.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.943 HG23 HG21 ' A' ' 12' ' ' THR . 3.8 mp -125.38 164.67 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.588 ' O ' HG22 ' A' ' 12' ' ' THR . 21.5 mt-30 -118.55 78.9 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.581 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -80.48 164.69 47.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.666 ' OE2' ' HB2' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -137.07 153.86 50.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.567 ' O ' HG23 ' A' ' 85' ' ' ILE . 11.2 mt -125.91 101.48 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 15' ' ' TYR . 4.6 mt-30 -77.07 120.54 22.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.711 HD12 ' HG2' ' A' ' 19' ' ' GLU . 4.6 mm? -74.43 138.12 43.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -55.2 117.73 3.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -78.47 146.41 34.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.2 t -86.65 106.03 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -146.61 165.76 28.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.6 p-10 -72.72 90.53 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -78.8 140.23 38.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.605 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -143.7 148.54 43.41 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 160.9 39.69 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -123.22 158.2 31.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.482 ' CD2' ' O ' ' A' ' 116' ' ' MET . 32.8 p90 -109.91 -13.04 14.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.482 ' O ' ' CD2' ' A' ' 115' ' ' PHE . 0.3 OUTLIER 60.39 149.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -136.76 144.39 43.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.49 153.11 31.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.99 170.4 15.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.9 p -148.33 163.26 37.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -147.88 154.03 25.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -176.42 2.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.91 166.07 24.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.108 . . . . 0.0 109.978 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.85 164.18 12.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.978 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 1.036 HG23 HG13 ' A' ' 13' ' ' ILE . 5.3 t -108.84 -32.35 7.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.407 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 1.036 HG13 HG23 ' A' ' 12' ' ' THR . 9.6 mt -127.81 147.72 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 p -136.28 116.87 13.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 110.431 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.839 ' HD2' HG12 ' A' ' 27' ' ' VAL . 4.4 m-85 -97.23 168.59 10.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.4 p -126.71 122.08 33.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.99 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.61 140.88 29.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.983 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.751 HD22 ' ND2' ' A' ' 65' ' ' ASN . 2.2 tp -73.67 112.9 10.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.839 HG12 ' HD2' ' A' ' 15' ' ' TYR . 79.6 t -75.2 -45.82 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.508 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 174.74 -179.65 45.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' A' ' 64' ' ' GLY . 42.5 m-80 -97.92 140.72 31.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.757 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.641 HD21 ' CG2' ' A' ' 90' ' ' VAL . 9.1 tp -110.47 -50.25 2.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.483 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -69.26 -31.51 70.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.7 -24.09 25.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.405 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -62.53 -63.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.803 HD21 HD11 ' A' ' 13' ' ' ILE . 12.9 mt -67.03 -11.31 56.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.63 11.25 80.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 mt -79.45 175.04 10.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 0.793 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.5 t -105.99 147.37 28.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.947 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.802 ' O ' HD12 ' A' ' 42' ' ' ILE . 3.4 mm? -44.09 -51.23 8.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.88 ' O ' HG23 ' A' ' 43' ' ' THR . 0.0 OUTLIER -46.99 -55.58 7.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.259 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -54.04 -40.72 67.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.862 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -70.8 -30.9 67.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.802 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -76.11 -54.74 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.88 HG23 ' O ' ' A' ' 39' ' ' ARG . 68.7 p -49.55 -48.61 48.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.374 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -87.12 13.63 9.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 36.41 89.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.862 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -98.77 119.76 38.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.57 172.27 11.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.664 HG21 ' CB ' ' A' ' 57' ' ' LEU . 16.0 mm -102.99 132.44 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.361 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.664 ' CB ' HG21 ' A' ' 48' ' ' ILE . 75.4 mt -147.01 153.62 40.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -154.75 103.17 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.659 HD23 ' O ' ' A' ' 46' ' ' ALA . 22.8 tp -78.56 107.18 11.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.452 ' HG2' ' CD2' ' A' ' 67' ' ' LEU . 7.6 pt-20 -52.53 -33.68 46.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 46' ' ' ALA . 23.0 mt-30 66.8 26.1 9.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -106.33 -48.03 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.432 ' C ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -123.89 0.12 8.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 29' ' ' ASN . . . 75.38 57.52 4.24 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.751 ' ND2' HD22 ' A' ' 26' ' ' LEU . 30.7 m-20 -130.35 131.92 45.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.787 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.802 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -78.97 122.89 26.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.684 HD22 ' O ' ' A' ' 65' ' ' ASN . 1.7 mm? -110.25 139.42 45.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.646 HD23 HD23 ' A' ' 57' ' ' LEU . 79.1 mt -80.92 144.42 31.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.62 -60.87 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.34 -175.66 4.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -74.78 116.38 15.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.543 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.435 HG23 ' O ' ' A' ' 103' ' ' ILE . 88.5 mt -125.73 134.97 65.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.5 HD22 HD12 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -71.91 150.25 44.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -110.13 112.41 24.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.604 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.546 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 4.5 p90 -148.53 172.1 15.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -153.6 143.47 21.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.641 ' CG2' HD21 ' A' ' 30' ' ' LEU . 98.7 t -88.61 116.83 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.555 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 5.3 tp -93.13 136.89 32.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 97' ' ' GLN . 70.9 mt -127.46 146.82 50.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 94' ' ' SER . 13.1 mttt -97.37 175.43 6.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 93' ' ' LYS . 42.3 p -35.12 111.66 0.44 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.035 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.1 Cg_endo -75.11 122.65 8.39 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.967 0.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 24.0 t -56.67 126.83 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.564 ' HB3' HD12 ' A' ' 92' ' ' LEU . 3.8 tm0? -152.97 153.44 32.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.572 ' C ' HD12 ' A' ' 99' ' ' ILE . 72.4 m-85 -135.93 148.5 48.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.928 HG23 HG21 ' A' ' 12' ' ' THR . 3.8 mp -124.16 159.75 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.699 ' O ' HG22 ' A' ' 12' ' ' THR . 8.5 mt-30 -113.47 81.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.546 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -81.7 -177.74 51.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -155.87 155.85 33.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.756 . . . . 0.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.5 HD12 HD22 ' A' ' 86' ' ' LEU . 10.2 mt -123.26 109.86 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -90.97 144.3 25.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 84' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.95 HG21 HG23 ' A' ' 99' ' ' ILE . 3.6 t -97.36 -32.75 11.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.408 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.869 HG13 HG23 ' A' ' 12' ' ' THR . 9.0 mt -135.44 149.87 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.6 p -135.54 116.88 14.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.348 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.857 ' HD2' HG12 ' A' ' 27' ' ' VAL . 4.2 m-85 -96.87 162.16 13.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.6 p -131.12 106.4 8.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.655 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -123.54 137.67 54.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 110.004 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 27' ' ' VAL . 2.3 tp -81.28 112.7 18.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.857 HG12 ' HD2' ' A' ' 15' ' ' TYR . 56.5 t -77.14 -42.7 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.451 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 169.18 179.65 41.29 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -93.03 139.26 30.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.809 HD21 HG22 ' A' ' 90' ' ' VAL . 9.9 tp -107.94 -63.28 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.61 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -61.58 -36.44 80.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.16 -20.15 52.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.464 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -70.96 -47.68 57.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.79 HD21 HD11 ' A' ' 13' ' ' ILE . 37.8 mt -89.12 12.9 14.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.69 14.44 29.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.61 HD22 ' NH2' ' A' ' 44' ' ' ARG . 40.4 mt -77.01 168.53 19.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -105.84 149.04 26.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.032 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.919 HD21 ' O ' ' A' ' 63' ' ' SER . 1.5 mm? -48.11 -60.32 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -41.98 -47.55 4.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -48.79 80.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.255 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.802 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -63.66 -26.54 68.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.746 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.1 mp -79.39 -52.85 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.9 p -54.98 -46.17 75.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.433 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.61 ' NH2' HD22 ' A' ' 36' ' ' LEU . 25.6 mtm180 -83.09 5.61 21.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 44' ' ' ARG . . . 40.7 93.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.864 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -101.58 132.52 47.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.488 ' CD ' HD23 ' A' ' 91' ' ' LEU . 9.2 pt20 -138.82 163.52 32.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.649 HG21 ' HB3' ' A' ' 57' ' ' LEU . 20.3 mm -98.75 131.51 45.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 88' ' ' PHE . 16.6 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.649 ' HB3' HG21 ' A' ' 48' ' ' ILE . 18.9 mt -120.78 158.16 28.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -154.77 114.08 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.864 HD23 ' O ' ' A' ' 46' ' ' ALA . 4.9 tp -80.59 113.54 18.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -39.99 -55.56 2.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.63 ' O ' HD12 ' A' ' 38' ' ' LEU . 1.9 tt0 86.09 -47.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -73.56 -18.86 61.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.919 ' O ' HD21 ' A' ' 38' ' ' LEU . 1.6 m -116.18 -47.93 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.948 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.513 ' CA ' HD11 ' A' ' 38' ' ' LEU . . . 103.11 42.66 2.03 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.039 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.459 ' O ' HD22 ' A' ' 67' ' ' LEU . 48.1 m-20 -130.59 156.42 44.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.777 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.482 ' CD2' HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -91.1 108.58 19.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.477 ' CD2' ' HB2' ' A' ' 60' ' ' GLU . 2.4 mm? -102.54 149.48 24.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.655 HD12 ' HB3' ' A' ' 25' ' ' SER . 3.6 mt -89.55 168.44 12.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.8 -54.28 3.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -153.62 175.08 13.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -50.59 133.93 24.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.611 HD22 ' H ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.473 HG23 ' H ' ' A' ' 103' ' ' ILE . 83.5 mt -106.84 131.59 56.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.597 HD23 ' N ' ' A' ' 87' ' ' HIS . 2.4 tt -73.32 151.01 41.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.597 ' N ' HD23 ' A' ' 86' ' ' LEU . 1.4 p80 -110.87 113.42 25.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.547 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 49' ' ' LEU . 11.1 p90 -143.19 171.42 14.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.28 138.67 17.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.809 HG22 HD21 ' A' ' 30' ' ' LEU . 11.4 t -87.93 113.89 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.834 HD13 ' CE2' ' A' ' 98' ' ' PHE . 9.8 tp -91.33 135.68 33.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.48 ' N ' HD12 ' A' ' 91' ' ' LEU . 97.7 mt -128.42 147.48 50.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 94' ' ' SER . 10.1 mttm -99.26 175.35 5.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.488 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 87.2 p -33.34 110.3 0.35 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.488 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.3 Cg_endo -75.03 122.98 8.64 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.965 -2.515 . . . . 0.0 110.978 -0.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 16.6 t -60.28 137.97 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -170.52 145.17 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.338 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.834 ' CE2' HD13 ' A' ' 91' ' ' LEU . 87.5 m-85 -123.95 158.84 31.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.95 HG23 HG21 ' A' ' 12' ' ' THR . 4.4 mp -131.41 165.48 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.51 ' O ' HG22 ' A' ' 12' ' ' THR . 5.5 mt-30 -131.85 80.49 1.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.16 -168.41 44.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -147.47 161.49 40.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 110.267 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.473 ' H ' HG23 ' A' ' 85' ' ' ILE . 5.4 mt -130.6 105.25 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -92.11 140.05 30.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.981 HG23 HG13 ' A' ' 13' ' ' ILE . 5.9 t -102.46 -32.04 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.981 HG13 HG23 ' A' ' 12' ' ' THR . 14.0 mt -128.89 150.23 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -135.75 117.03 14.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.806 ' HD2' HG12 ' A' ' 27' ' ' VAL . 2.9 m-85 -101.53 163.86 12.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.8 p -122.0 115.42 22.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.558 HG12 HG23 ' A' ' 103' ' ' ILE . 5.4 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.6 147.25 25.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.856 HD22 ' ND2' ' A' ' 65' ' ' ASN . 1.3 tp -79.64 113.67 17.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.806 HG12 ' HD2' ' A' ' 15' ' ' TYR . 39.4 t -73.27 -47.96 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.528 ' CA ' ' CE2' ' A' ' 15' ' ' TYR . . . 175.46 174.8 42.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.4 ' OD1' ' OD1' ' A' ' 65' ' ' ASN . 26.8 m-20 -89.16 130.53 35.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 0.76 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.92 HD13 HD11 ' A' ' 66' ' ' LEU . 1.1 tp -101.82 -61.67 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.468 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -52.27 -42.46 63.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -40.94 65.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -45.23 -62.24 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.826 HD21 HD11 ' A' ' 13' ' ' ILE . 11.7 mt -69.67 -23.34 63.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.97 16.64 53.94 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.427 1.079 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 77.8 mt -84.87 144.49 28.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 0.725 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 m -73.96 143.91 45.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.615 ' O ' HD12 ' A' ' 42' ' ' ILE . 1.2 mm? -40.99 -59.93 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.851 ' O ' HG23 ' A' ' 43' ' ' THR . 2.9 ttp180 -38.41 -54.76 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.69 -53.52 46.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.869 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -58.73 -25.11 62.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.615 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -81.15 -55.62 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.851 HG23 ' O ' ' A' ' 39' ' ' ARG . 44.4 p -53.56 -44.93 69.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' GLY . 54.0 mtp180 -83.75 6.8 19.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.246 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 44' ' ' ARG . . . 36.78 91.8 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.869 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -101.34 127.62 47.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.616 ' HG3' HD23 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -135.7 159.37 41.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.614 HG21 ' CB ' ' A' ' 57' ' ' LEU . 12.7 mm -94.26 129.92 43.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 49' ' ' LEU . 13.2 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.526 HD23 HD12 ' A' ' 72' ' ' LEU . 4.4 mp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.682 HD23 HD23 ' A' ' 68' ' ' LEU . 93.1 mt -147.86 154.96 41.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -155.12 107.24 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 46' ' ' ALA . 29.5 tp -79.56 98.28 6.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.485 ' HG2' ' CD2' ' A' ' 67' ' ' LEU . 9.0 pt-20 -46.16 -29.13 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 62.91 26.31 15.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -106.43 -49.06 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.72 13.95 7.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.05 57.15 18.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.856 ' ND2' HD22 ' A' ' 26' ' ' LEU . 28.4 m-20 -128.24 135.62 49.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.753 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.92 HD11 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -83.1 122.98 29.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.562 HD22 ' O ' ' A' ' 65' ' ' ASN . 1.6 mm? -112.73 138.53 49.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.682 HD23 HD23 ' A' ' 57' ' ' LEU . 12.4 mt -80.16 143.47 33.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.53 -55.33 8.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -146.42 -177.24 5.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -65.68 110.94 2.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.627 HD22 ' H ' ' A' ' 72' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.428 HG23 ' O ' ' A' ' 103' ' ' ILE . 54.0 mt -102.59 133.33 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.05 148.29 45.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -106.12 113.88 27.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.581 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.558 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.8 p90 -147.57 172.99 13.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 88' ' ' PHE . 10.1 mp0 -154.15 152.56 30.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.349 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.523 HG21 HD21 ' A' ' 30' ' ' LEU . 61.5 t -100.34 110.02 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.717 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 3.6 tp -84.8 137.7 33.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.488 ' N ' HD12 ' A' ' 91' ' ' LEU . 95.1 mt -128.25 148.46 50.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.488 ' O ' ' C ' ' A' ' 94' ' ' SER . 21.5 mttm -100.63 174.02 6.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 93' ' ' LYS . 89.4 p -32.11 109.6 0.3 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.3 Cg_endo -75.04 123.69 9.36 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.991 0.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.8 t -61.46 134.86 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -170.99 152.09 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.717 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 18.8 m-85 -128.2 156.24 43.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.939 HG23 HG21 ' A' ' 12' ' ' THR . 3.8 mp -123.04 163.16 22.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.723 ' O ' HG22 ' A' ' 12' ' ' THR . 7.0 mt-30 -117.65 81.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.558 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -83.59 -177.8 51.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -151.04 153.91 36.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.558 HG23 HG12 ' A' ' 17' ' ' VAL . 19.0 mt -125.27 104.36 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 15' ' ' TYR . 20.8 mt-30 -76.34 149.36 37.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 tp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 1.006 HG23 HG13 ' A' ' 13' ' ' ILE . 5.2 t -96.77 -32.02 12.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.441 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 1.006 HG13 HG23 ' A' ' 12' ' ' THR . 8.2 mt -132.84 149.81 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 p -135.32 117.42 15.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.386 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.822 ' HD2' HG12 ' A' ' 27' ' ' VAL . 4.1 m-85 -97.78 160.83 14.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.7 p -132.06 105.17 7.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.459 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -99.77 135.34 41.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.98 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 27' ' ' VAL . 2.3 tp -80.45 113.54 18.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.822 HG12 ' HD2' ' A' ' 15' ' ' TYR . 45.0 t -76.55 -45.81 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.461 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 172.72 -175.31 45.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.485 ' C ' ' HH ' ' A' ' 15' ' ' TYR . 8.8 m-20 -100.61 140.22 35.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.913 HD21 ' CG2' ' A' ' 90' ' ' VAL . 6.3 tp -109.27 -60.36 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.519 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -61.78 -26.54 68.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.5 -21.7 22.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.427 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -69.51 -54.43 14.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.801 HD21 HD11 ' A' ' 13' ' ' ILE . 42.4 mt -73.22 -7.41 51.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.41 13.38 83.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.0 mt -84.51 177.13 8.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.752 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.88 155.18 24.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.0 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.993 HD21 ' O ' ' A' ' 63' ' ' SER . 3.0 mm? -44.38 -60.32 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.84 ' O ' HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER -40.98 -56.53 2.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -52.13 -46.97 65.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.898 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -66.81 -27.93 67.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -76.75 -56.21 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.84 HG23 ' O ' ' A' ' 39' ' ' ARG . 61.9 p -49.08 -47.63 44.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 92' ' ' LEU . 17.8 mtm180 -86.33 12.9 9.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' ARG . . . 36.86 91.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.898 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -99.35 125.64 45.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 0.792 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -141.09 158.19 44.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.235 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.686 HG21 ' HB3' ' A' ' 57' ' ' LEU . 8.9 mm -90.27 131.84 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.2 mp . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.686 ' HB3' HG21 ' A' ' 48' ' ' ILE . 30.9 mt -132.46 153.02 51.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -155.6 105.71 2.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -78.24 131.65 37.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.337 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 12.3 pt-20 -98.78 111.17 23.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -72.16 -4.13 27.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.38 -10.37 59.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.993 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -148.0 -50.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.61 58.53 0.6 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -135.02 162.15 33.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 0.788 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.524 ' CD2' HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -96.61 103.48 15.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.683 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.1 mm? -101.84 156.13 17.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.769 HD22 HD11 ' A' ' 72' ' ' LEU . 2.3 mt -90.4 168.29 11.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.505 ' HA ' ' CE ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -91.14 -36.83 13.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -170.13 -177.85 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -55.73 125.53 21.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.769 HD11 HD22 ' A' ' 68' ' ' LEU . 1.2 mm? . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 103' ' ' ILE . 76.8 mt -122.53 134.89 64.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -72.17 151.09 43.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.419 ' CE1' ' O ' ' A' ' 85' ' ' ILE . 1.3 m-70 -110.51 112.91 25.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.558 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.463 ' CD2' HG13 ' A' ' 103' ' ' ILE . 4.8 p90 -147.3 174.32 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -153.01 172.07 17.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.913 ' CG2' HD21 ' A' ' 30' ' ' LEU . 19.5 t -122.2 114.07 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.712 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 10.1 tp -90.96 135.74 33.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.415 ' HA ' ' O ' ' A' ' 44' ' ' ARG . 90.1 mt -126.59 146.35 50.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 94' ' ' SER . 5.6 mttm -97.32 175.1 6.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 93' ' ' LYS . 68.4 p -35.31 111.86 0.45 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.1 Cg_endo -75.01 122.55 8.29 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.948 0.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 17.5 t -58.09 132.36 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 98' ' ' PHE . 40.8 tt0 -160.32 148.98 16.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.712 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 19.3 m-85 -127.46 157.98 38.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.945 HG23 HG21 ' A' ' 12' ' ' THR . 4.6 mp -133.81 165.82 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.533 ' O ' HG22 ' A' ' 12' ' ' THR . 5.3 mt-30 -133.4 85.55 2.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -89.21 -170.77 45.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -147.61 158.59 44.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.535 ' O ' HG23 ' A' ' 85' ' ' ILE . 28.7 mt -127.04 107.7 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -97.2 144.63 26.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 tp . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.547 ' HB2' ' HG3' ' A' ' 102' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 1.012 HG23 HG13 ' A' ' 13' ' ' ILE . 6.8 t -103.59 -32.18 9.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 1.012 HG13 HG23 ' A' ' 12' ' ' THR . 13.8 mt -129.48 148.83 33.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 p -136.37 116.86 13.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.832 ' HD2' HG12 ' A' ' 27' ' ' VAL . 5.0 m-85 -96.18 156.62 16.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.5 p -122.23 108.66 13.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.684 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -118.37 131.54 56.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 0.731 . . . . 0.0 110.001 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.525 HD22 ' ND2' ' A' ' 65' ' ' ASN . 3.6 tp -80.91 111.49 17.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.832 HG12 ' HD2' ' A' ' 15' ' ' TYR . 76.3 t -78.39 -41.02 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.425 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 160.81 166.23 19.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 1.0 OUTLIER -83.1 140.22 32.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.056 HD21 HG22 ' A' ' 90' ' ' VAL . 12.3 tp -101.43 -31.87 10.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.606 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -80.11 -41.15 26.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -72.19 -24.39 61.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.75 -65.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.241 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.746 HD21 ' CD1' ' A' ' 13' ' ' ILE . 10.1 mt -71.5 -7.66 48.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.91 15.62 80.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' ALA . 15.5 mt -80.52 159.85 25.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.794 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.4 m -90.01 143.67 26.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.823 ' O ' HD12 ' A' ' 42' ' ' ILE . 1.0 OUTLIER -40.67 -54.25 2.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 42' ' ' ILE . 1.4 ttt180 -45.24 -58.95 2.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -49.19 -43.22 42.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.842 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -67.75 -26.21 66.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.823 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -82.41 -57.19 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -54.14 -45.57 72.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.443 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -81.45 5.54 17.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 41.5 91.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.842 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -103.27 124.17 48.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.65 ' CD ' HD23 ' A' ' 91' ' ' LEU . 11.5 pt20 -133.69 165.25 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.72 HG21 ' HB3' ' A' ' 57' ' ' LEU . 15.0 mm -100.3 129.92 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 88' ' ' PHE . 16.3 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.72 ' HB3' HG21 ' A' ' 48' ' ' ILE . 13.6 mt -136.39 149.01 48.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -155.22 111.01 3.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.521 HD23 ' O ' ' A' ' 46' ' ' ALA . 48.9 tp -78.88 118.87 21.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.613 ' OE1' HD21 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -55.52 -40.26 71.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 65.86 9.18 5.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -106.88 -37.86 6.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.94 9.15 6.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.92 52.72 50.57 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.548 1.155 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.528 ' O ' HD22 ' A' ' 67' ' ' LEU . 46.3 m-20 -131.38 140.28 49.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.623 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -86.41 122.88 30.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.613 HD21 ' OE1' ' A' ' 60' ' ' GLU . 2.3 mm? -110.33 134.84 51.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.925 HD22 HD11 ' A' ' 72' ' ' LEU . 4.3 mt -79.46 148.16 32.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -43.96 72.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -172.13 -176.53 1.67 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.1 ttpt -49.69 123.32 7.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.925 HD11 HD22 ' A' ' 68' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.727 HG23 ' O ' ' A' ' 103' ' ' ILE . 86.3 mt -114.27 134.5 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.418 ' HB3' HD12 ' A' ' 103' ' ' ILE . 0.3 OUTLIER -72.1 152.58 42.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -113.44 111.28 21.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.588 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.532 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 6.3 p90 -144.62 173.87 11.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -150.66 149.26 29.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 1.056 HG22 HD21 ' A' ' 30' ' ' LEU . 49.2 t -99.24 112.43 31.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.799 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 8.1 tp -90.5 136.12 33.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 91' ' ' LEU . 75.9 mt -131.45 148.48 52.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 94' ' ' SER . 13.8 mttm -100.06 175.38 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.372 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 93' ' ' LYS . 59.6 p -32.45 109.6 0.31 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.96 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.483 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.02 122.28 8.07 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.969 0.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 24.3 t -63.27 133.06 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -168.77 146.94 3.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.799 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 7.0 m-85 -122.91 158.68 29.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.921 HG23 HG21 ' A' ' 12' ' ' THR . 4.2 mp -129.91 162.7 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.433 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 1.8 mt-30 -117.34 70.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.532 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -76.3 162.13 52.22 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.547 ' HG3' ' HB2' ' A' ' 11' ' ' ALA . 10.0 mm-40 -130.13 165.83 21.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.727 ' O ' HG23 ' A' ' 85' ' ' ILE . 31.9 mt -133.07 117.21 28.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -107.37 144.18 34.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.48 ' HB1' ' OE1' ' A' ' 102' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.992 HG23 HG13 ' A' ' 13' ' ' ILE . 5.0 t -106.23 -32.42 8.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.992 HG13 HG23 ' A' ' 12' ' ' THR . 6.8 mt -129.48 147.31 33.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -136.25 116.61 13.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.799 ' HD2' HG12 ' A' ' 27' ' ' VAL . 2.7 m-85 -100.88 168.74 9.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.0 p -130.51 122.46 27.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.962 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.577 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -97.39 148.77 22.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 0.768 . . . . 0.0 110.043 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 28' ' ' GLY . 1.5 tp -77.34 113.05 14.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.799 HG12 ' HD2' ' A' ' 15' ' ' TYR . 94.6 t -81.29 -39.65 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.519 ' N ' HD12 ' A' ' 26' ' ' LEU . . . 164.88 157.07 9.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.4 ' O ' ' OD1' ' A' ' 33' ' ' ASP . 6.2 p30 -79.16 131.52 36.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.783 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.878 HD21 ' CG2' ' A' ' 90' ' ' VAL . 9.8 tp -98.71 -37.85 9.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.511 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -68.35 -55.81 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -38.52 84.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 29' ' ' ASN . 0.1 OUTLIER -46.55 -54.55 9.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.585 HD21 ' CD1' ' A' ' 13' ' ' ILE . 16.2 mt -90.5 22.96 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 48.32 26.0 4.63 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.3 mt -84.41 161.37 20.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 m -98.21 145.22 26.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.878 ' O ' HD12 ' A' ' 42' ' ' ILE . 2.3 mm? -46.84 -52.99 12.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.639 ' O ' HG23 ' A' ' 43' ' ' THR . 1.7 ttp-105 -47.21 -45.85 23.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -63.83 -51.2 65.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.741 HD13 ' HB3' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -59.64 -24.86 64.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.878 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -81.0 -50.58 16.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 39' ' ' ARG . 16.8 p -54.81 -49.89 69.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.362 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 36.1 mtm-85 -77.7 1.59 19.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 41.09 62.81 1.67 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.883 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -73.62 118.98 17.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.761 ' CD ' HD23 ' A' ' 91' ' ' LEU . 6.5 pt20 -124.99 159.8 30.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.325 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.733 HD11 HD22 ' A' ' 30' ' ' LEU . 42.8 mm -95.33 135.96 27.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.9 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.615 HD21 HG21 ' A' ' 27' ' ' VAL . 17.1 mt -107.37 154.54 21.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.03 105.0 2.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.883 HD23 ' O ' ' A' ' 46' ' ' ALA . 11.8 tp -78.87 107.49 11.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.9 OUTLIER -40.92 -51.67 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.613 ' O ' HD11 ' A' ' 42' ' ' ILE . 4.9 tt0 84.82 -10.07 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -93.74 -36.46 12.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.4 -10.47 14.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.629 ' N ' HD11 ' A' ' 38' ' ' LEU . . . 70.24 48.46 38.42 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.554 ' O ' HD22 ' A' ' 67' ' ' LEU . 48.9 m-20 -135.16 149.92 50.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.573 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -84.9 123.2 30.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.554 HD22 ' O ' ' A' ' 65' ' ' ASN . 1.4 mm? -113.54 134.55 54.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.742 HD22 HD21 ' A' ' 72' ' ' LEU . 8.6 mt -80.21 131.7 35.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.47 -61.22 2.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -146.24 -174.9 4.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -57.0 120.38 7.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.742 HD21 HD22 ' A' ' 68' ' ' LEU . 1.2 mm? . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.462 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.7 t . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 82.8 mt -133.29 134.2 57.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.45 150.29 43.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -109.17 110.7 21.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.581 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.568 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.5 p90 -143.94 166.92 23.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -144.68 158.98 43.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.878 ' CG2' HD21 ' A' ' 30' ' ' LEU . 98.1 t -105.97 105.52 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.781 HD13 ' CE1' ' A' ' 98' ' ' PHE . 6.8 tp -79.71 133.83 36.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.609 HD12 ' HB3' ' A' ' 97' ' ' GLN . 51.5 mt -124.55 146.85 48.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 94' ' ' SER . 10.5 mttm -99.65 173.87 6.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.453 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 28.4 p -35.17 111.63 0.44 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.07 122.45 8.22 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.004 -2.498 . . . . 0.0 111.007 0.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.6 134.86 20.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.609 ' HB3' HD12 ' A' ' 92' ' ' LEU . 2.7 tm0? -163.44 158.22 20.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.781 ' CE1' HD13 ' A' ' 91' ' ' LEU . 97.2 m-85 -139.1 149.04 44.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.924 HG23 HG21 ' A' ' 12' ' ' THR . 3.5 mp -122.99 163.63 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.825 ' O ' HG22 ' A' ' 12' ' ' THR . 5.1 mt-30 -118.99 89.04 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.568 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -88.54 178.83 45.97 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.491 1.12 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.48 ' OE1' ' HB1' ' A' ' 11' ' ' ALA . 40.2 mp0 -146.21 148.69 32.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.744 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.487 HG13 ' CE2' ' A' ' 88' ' ' PHE . 10.7 mt -123.67 98.86 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -74.62 131.35 40.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.337 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 84' ' ' CYS . 2.3 mm? . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.416 ' HB2' ' HG3' ' A' ' 102' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.948 HG21 HG23 ' A' ' 99' ' ' ILE . 5.0 t -99.39 -32.87 10.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.429 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.891 HG13 HG23 ' A' ' 12' ' ' THR . 16.3 mt -129.67 150.11 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -135.99 117.23 14.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.413 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.835 ' CD2' HG12 ' A' ' 27' ' ' VAL . 5.6 m-85 -100.91 166.54 10.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 p -132.0 117.25 18.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.996 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.755 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -115.4 136.84 52.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 27' ' ' VAL . 2.5 tp -83.24 113.07 20.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.835 HG12 ' CD2' ' A' ' 15' ' ' TYR . 42.5 t -82.13 -40.41 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.441 ' N ' HD12 ' A' ' 26' ' ' LEU . . . 164.99 -169.14 39.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 4.6 m120 -107.49 140.45 40.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.68 HD22 HD11 ' A' ' 48' ' ' ILE . 12.1 tp -105.46 -61.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.551 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -54.88 -41.02 70.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.64 -44.86 61.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.543 ' OD2' ' CE1' ' A' ' 15' ' ' TYR . 1.1 m-20 -40.16 -70.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.794 HD21 HD11 ' A' ' 13' ' ' ILE . 9.1 mt -63.18 -25.42 68.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.42 18.54 38.42 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ALA . 79.8 mt -84.37 165.78 17.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 0.747 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 m -93.62 155.49 17.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.998 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.731 HD21 ' O ' ' A' ' 63' ' ' SER . 3.6 mm? -50.83 -59.51 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.6 ' O ' HG23 ' A' ' 43' ' ' THR . 6.5 ttp180 -42.74 -44.95 4.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -62.43 -47.81 82.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.806 HD13 ' HB3' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -63.74 -25.02 68.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.606 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -82.81 -53.39 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.6 HG23 ' O ' ' A' ' 39' ' ' ARG . 22.2 p -56.01 -44.84 79.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.421 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -79.59 -0.68 34.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 43.2 71.37 0.42 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.806 ' HB3' HD13 ' A' ' 41' ' ' LEU . . . -87.76 116.46 25.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.766 ' OE1' HD23 ' A' ' 91' ' ' LEU . 12.9 pt20 -123.84 162.03 24.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.68 HD11 HD22 ' A' ' 30' ' ' LEU . 17.2 mm -94.4 135.59 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 48' ' ' ILE . 16.8 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.667 ' HB3' HG21 ' A' ' 48' ' ' ILE . 15.8 mt -132.62 152.3 51.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.71 103.47 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.56 134.52 35.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -91.04 115.23 27.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -84.53 11.5 8.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.49 4.22 50.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.731 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -163.32 -45.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.82 67.84 0.61 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -143.73 152.92 41.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.61 HD23 HD22 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -98.77 104.78 16.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.629 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.3 mm? -101.61 149.37 24.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.755 HD12 ' HB3' ' A' ' 25' ' ' SER . 2.8 mt -86.45 147.23 26.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -53.47 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -166.57 -175.21 3.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -45.34 123.05 3.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.63 HD22 ' H ' ' A' ' 72' ' ' LEU . 1.5 mm? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 103' ' ' ILE . 93.8 mt -115.98 134.56 58.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.98 152.55 42.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -111.34 110.6 21.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.595 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.478 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.4 p90 -144.0 170.71 15.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.6 mp0 -153.01 145.78 24.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.43 ' CG2' HD21 ' A' ' 30' ' ' LEU . 19.8 t -94.09 127.78 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.766 HD23 ' OE1' ' A' ' 47' ' ' GLN . 7.1 tp -98.68 134.74 41.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.582 ' N ' HD12 ' A' ' 91' ' ' LEU . 92.8 mt -127.92 148.09 50.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 94' ' ' SER . 21.8 mttm -103.15 173.55 6.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.506 ' C ' ' O ' ' A' ' 93' ' ' LYS . 52.2 p -31.37 108.61 0.27 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.03 122.63 8.35 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.008 -2.496 . . . . 0.0 111.007 0.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.401 HG22 ' HA ' ' A' ' 93' ' ' LYS . 24.6 t -64.37 134.39 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -168.8 145.88 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.521 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 8.5 m-85 -117.37 158.6 24.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.948 HG23 HG21 ' A' ' 12' ' ' THR . 4.5 mp -129.23 156.4 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.445 ' O ' HG22 ' A' ' 12' ' ' THR . 8.0 mt-30 -116.63 72.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.478 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -73.81 -178.39 37.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.416 ' HG3' ' HB2' ' A' ' 11' ' ' ALA . 64.2 mm-40 -147.4 158.72 44.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.506 ' O ' HG23 ' A' ' 85' ' ' ILE . 20.8 mt -130.71 108.73 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -91.68 133.0 35.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.984 HG23 HG13 ' A' ' 13' ' ' ILE . 6.7 t -103.07 -32.11 9.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.385 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.984 HG13 HG23 ' A' ' 12' ' ' THR . 12.0 mt -132.11 149.67 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.4 p -135.81 117.53 15.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.823 ' HD2' HG12 ' A' ' 27' ' ' VAL . 5.6 m-85 -98.09 165.27 11.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 p -132.47 107.26 8.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.572 ' CB ' HD12 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -114.28 132.68 56.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 0.809 . . . . 0.0 109.983 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' ' 27' ' ' VAL . 2.2 tp -75.65 113.92 13.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.823 HG12 ' HD2' ' A' ' 15' ' ' TYR . 41.6 t -80.67 -41.51 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.506 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 170.2 -173.69 44.22 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.408 ' O ' ' OH ' ' A' ' 15' ' ' TYR . 5.6 m-80 -102.0 144.44 30.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.753 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.644 HD21 HG22 ' A' ' 90' ' ' VAL . 11.9 tp -116.98 -55.51 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.594 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -66.2 -23.7 66.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -93.89 -23.62 18.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.49 -48.79 63.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.75 HD21 ' CD1' ' A' ' 13' ' ' ILE . 12.9 mt -86.76 11.76 12.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 55.25 22.84 31.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.0 mt -82.35 175.85 9.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.81 148.18 32.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.666 HD21 ' O ' ' A' ' 63' ' ' SER . 1.4 mm? -45.93 -64.48 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -40.39 -45.56 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 110.274 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -61.98 -49.26 76.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.613 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -62.33 -23.86 67.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 109.284 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.1 mp -84.75 -56.35 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.5 p -55.8 -38.18 69.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.344 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -82.84 3.42 29.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 41.29 75.72 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.763 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -96.0 125.2 40.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.668 ' CD ' HD23 ' A' ' 91' ' ' LEU . 11.5 pt20 -133.23 158.74 42.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.707 HG21 ' HB3' ' A' ' 57' ' ' LEU . 25.9 mm -93.19 136.88 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.707 ' HB3' HG21 ' A' ' 48' ' ' ILE . 15.5 mt -133.19 155.66 48.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.62 112.04 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.763 HD23 ' O ' ' A' ' 46' ' ' ALA . 3.7 tp -78.83 111.06 14.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.4 OUTLIER -38.11 -56.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.638 ' O ' HD12 ' A' ' 38' ' ' LEU . 0.8 OUTLIER 85.59 -46.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -8.67 57.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.666 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -126.24 -44.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.25 39.74 3.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.426 ' O ' HD22 ' A' ' 67' ' ' LEU . 89.2 m-20 -126.33 155.77 41.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 0.726 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.494 HD13 ' CZ ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -93.3 104.8 16.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.488 ' CD2' ' HB2' ' A' ' 60' ' ' GLU . 2.0 mm? -100.69 154.56 18.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.688 HD22 HD11 ' A' ' 72' ' ' LEU . 5.1 mt -87.59 177.02 7.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.79 -40.04 6.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -167.07 -177.87 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -57.96 124.24 18.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.688 HD11 HD22 ' A' ' 68' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.445 HG23 ' H ' ' A' ' 103' ' ' ILE . 95.8 mt -96.69 135.69 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.442 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -73.32 152.99 40.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -112.87 114.33 26.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.603 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.504 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 5.7 p90 -147.06 169.2 19.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -152.05 143.68 23.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.644 HG22 HD21 ' A' ' 30' ' ' LEU . 38.1 t -91.82 108.04 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.767 HD13 ' CE1' ' A' ' 98' ' ' PHE . 7.2 tp -86.3 136.73 33.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 91' ' ' LEU . 61.6 mt -127.92 147.59 50.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 94' ' ' SER . 9.4 mttt -97.72 174.71 6.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 93' ' ' LYS . 26.3 p -34.67 111.57 0.42 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.4 Cg_endo -74.97 123.18 8.82 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.008 -0.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 24.7 t -57.6 126.48 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -152.19 154.23 35.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.767 ' CE1' HD13 ' A' ' 91' ' ' LEU . 80.4 m-85 -136.86 158.08 45.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.93 HG23 HG21 ' A' ' 12' ' ' THR . 4.1 mp -134.11 163.42 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.647 ' O ' HG22 ' A' ' 12' ' ' THR . 5.9 mt-30 -124.99 85.25 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.504 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -87.8 -173.69 47.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -147.59 158.21 43.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.767 . . . . 0.0 110.283 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.445 ' H ' HG23 ' A' ' 85' ' ' ILE . 13.6 mt -129.26 107.47 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -96.48 146.2 25.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 1.038 HG23 HG13 ' A' ' 13' ' ' ILE . 6.8 t -106.47 -32.09 8.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.421 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 1.038 HG13 HG23 ' A' ' 12' ' ' THR . 17.3 mt -125.49 149.45 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -136.54 117.38 14.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.814 ' HD2' HG12 ' A' ' 27' ' ' VAL . 4.5 m-85 -96.74 159.05 15.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 p -127.11 106.92 9.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.713 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -98.1 137.97 36.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 109.982 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 27' ' ' VAL . 2.0 tp -81.16 114.75 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.814 HG12 ' HD2' ' A' ' 15' ' ' TYR . 95.0 t -86.91 -37.55 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.494 ' N ' HD12 ' A' ' 26' ' ' LEU . . . 159.79 170.99 25.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 0.9 OUTLIER -96.08 137.48 35.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.741 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.946 HD21 HG22 ' A' ' 90' ' ' VAL . 8.2 tp -93.56 -44.78 8.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.614 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -66.82 -40.82 88.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.31 -31.71 65.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -66.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.762 HD21 ' CD1' ' A' ' 13' ' ' ILE . 8.4 mt -69.86 -8.22 46.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.74 16.95 80.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' ALA . 15.2 mt -74.42 169.05 18.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' LEU . 8.3 t -99.36 139.67 34.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.97 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.991 HD21 ' O ' ' A' ' 63' ' ' SER . 2.9 mm? -40.15 -56.48 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.65 -48.37 5.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -60.7 -51.63 68.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 1.088 HD13 ' HB3' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -59.43 -25.56 64.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.351 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.1 mp -80.49 -54.15 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 p -53.94 -54.3 40.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.402 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -76.25 -1.29 25.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 41.55 74.44 0.17 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.088 ' HB3' HD13 ' A' ' 41' ' ' LEU . . . -84.09 117.72 23.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.711 ' CD ' HD23 ' A' ' 91' ' ' LEU . 7.0 pt20 -118.24 170.33 8.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.848 HG21 ' HB3' ' A' ' 57' ' ' LEU . 17.0 mm -101.5 134.68 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.4 mt . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.414 ' HA ' ' CB ' ' A' ' 69' ' ' LYS . 3.3 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.848 ' HB3' HG21 ' A' ' 48' ' ' ILE . 10.2 mt -140.74 138.99 34.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -141.64 104.59 4.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 46' ' ' ALA . 20.5 tp -80.38 96.89 6.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.813 ' HG2' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -35.8 -49.32 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.24 3.83 4.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.461 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -86.3 -19.43 29.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.991 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -143.06 -46.25 0.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 110.001 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.05 60.17 0.14 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.499 1.125 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.519 ' O ' HD22 ' A' ' 67' ' ' LEU . 98.4 m-20 -143.26 139.92 30.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.794 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -88.1 125.08 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.813 HD21 ' HG2' ' A' ' 60' ' ' GLU . 1.6 mm? -114.53 132.52 56.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.922 HD22 HD11 ' A' ' 72' ' ' LEU . 4.3 mt -73.66 142.33 46.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.414 ' CB ' ' HA ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -65.33 -49.51 69.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -151.39 -175.34 5.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -66.66 117.59 9.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.922 HD11 HD22 ' A' ' 68' ' ' LEU . 1.1 mm? . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.755 HG23 ' O ' ' A' ' 103' ' ' ILE . 73.2 mt -109.77 131.25 61.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.466 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -71.68 142.05 49.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -106.55 113.97 27.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.631 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.551 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 6.8 p90 -143.69 173.37 11.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -153.64 143.8 22.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.946 HG22 HD21 ' A' ' 30' ' ' LEU . 76.8 t -89.15 126.21 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.711 HD23 ' CD ' ' A' ' 47' ' ' GLN . 7.8 tp -98.62 133.58 42.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.594 ' N ' HD12 ' A' ' 91' ' ' LEU . 41.3 mt -123.14 144.36 49.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 94' ' ' SER . 7.7 mttt -98.01 174.34 6.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.45 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 21.8 p -35.02 111.34 0.42 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.01 122.65 8.36 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 121.041 -2.483 . . . . 0.0 110.974 0.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 23.3 t -55.61 127.27 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.594 ' HB3' HD12 ' A' ' 92' ' ' LEU . 1.2 tm0? -150.82 161.62 42.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.787 ' C ' HD12 ' A' ' 99' ' ' ILE . 84.1 m-85 -141.89 154.31 45.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.895 HG23 HG21 ' A' ' 12' ' ' THR . 3.9 mp -133.83 150.09 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.931 ' O ' HG22 ' A' ' 12' ' ' THR . 3.1 pt20 -105.57 90.61 3.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.551 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -96.34 167.09 24.65 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 13' ' ' ILE . 60.9 mm-40 -136.31 160.94 37.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.755 ' O ' HG23 ' A' ' 85' ' ' ILE . 25.6 mt -128.98 112.84 26.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -103.93 146.62 28.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.0 tp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 1.024 HG23 HG13 ' A' ' 13' ' ' ILE . 5.9 t -102.55 -32.13 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.402 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 1.024 HG13 HG23 ' A' ' 12' ' ' THR . 10.3 mt -129.24 150.05 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 p -136.13 117.91 15.09 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.501 1.125 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.84 ' HD2' HG12 ' A' ' 27' ' ' VAL . 3.9 m-85 -99.83 169.47 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.3 p -132.41 121.6 23.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.462 HG12 HG23 ' A' ' 103' ' ' ILE . 11.6 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.421 ' CB ' HD12 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -122.72 131.96 54.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 0.0 110.026 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.527 HD12 ' H ' ' A' ' 28' ' ' GLY . 2.5 tp -76.33 111.98 12.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.84 HG12 ' HD2' ' A' ' 15' ' ' TYR . 62.8 t -81.27 -37.76 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.568 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 164.56 179.53 38.71 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.451 ' OD1' ' ND2' ' A' ' 65' ' ' ASN . 16.0 m-80 -103.15 140.06 37.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.784 HD21 HG21 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -111.15 -36.38 5.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.492 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -72.56 -37.78 68.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -78.6 -45.84 20.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -40.98 -69.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.722 HD21 ' CD1' ' A' ' 13' ' ' ILE . 7.4 mt -63.37 -22.17 66.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.12 14.57 60.33 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' ALA . 31.8 mt -80.52 143.05 33.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.47 149.1 42.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.95 HD21 ' O ' ' A' ' 63' ' ' SER . 1.4 mm? -42.98 -60.64 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -38.44 -57.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.098 . . . . 0.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -49.73 -55.55 13.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.651 HD13 ' HB3' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -54.72 -29.37 53.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -78.84 -60.62 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.3 p -53.78 -49.83 67.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.436 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.0 mtp85 -70.1 -7.44 41.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 46.11 96.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.944 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -111.05 135.74 51.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.764 ' CD ' HD23 ' A' ' 91' ' ' LEU . 4.3 pt20 -138.72 165.71 26.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.563 HG21 ' HB3' ' A' ' 57' ' ' LEU . 12.8 mm -100.45 130.57 49.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.482 HD21 ' OE1' ' A' ' 47' ' ' GLN . 13.4 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 56' ' ' LEU . 3.7 mp . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.803 HD23 ' HA ' ' A' ' 68' ' ' LEU . 16.9 mt -134.31 159.29 41.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.1 tt0 -155.53 112.44 3.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.944 HD23 ' O ' ' A' ' 46' ' ' ALA . 11.3 tp -81.59 108.49 15.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 2.6 mt-10 -38.64 -56.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.469 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER 84.33 -48.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.36 -15.95 63.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.95 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -120.86 -49.6 2.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.08 42.04 1.58 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.435 1.085 . . . . 0.0 111.027 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.491 ' O ' HD22 ' A' ' 67' ' ' LEU . 20.7 m120 -131.01 150.93 51.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.667 HD11 HD13 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -90.76 104.67 17.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.596 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.7 mm? -103.28 134.62 46.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.803 ' HA ' HD23 ' A' ' 57' ' ' LEU . 3.7 mt -65.48 -175.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.07 -51.88 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -146.43 -173.44 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -72.24 119.16 16.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.519 ' N ' HD13 ' A' ' 72' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.426 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.473 HG23 ' O ' ' A' ' 103' ' ' ILE . 97.1 mt -128.71 128.64 67.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.804 HD23 ' N ' ' A' ' 87' ' ' HIS . 6.0 tt -71.81 138.8 48.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.804 ' N ' HD23 ' A' ' 86' ' ' LEU . 6.5 m-70 -97.84 117.0 31.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.573 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.578 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.3 p90 -147.52 168.94 20.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -150.99 149.27 29.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.784 HG21 HD21 ' A' ' 30' ' ' LEU . 47.2 t -92.41 113.01 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.764 HD23 ' CD ' ' A' ' 47' ' ' GLN . 7.4 tp -88.06 134.21 33.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.576 ' N ' HD12 ' A' ' 91' ' ' LEU . 44.5 mt -123.8 148.39 46.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 94' ' ' SER . 0.0 OUTLIER -98.11 174.52 6.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 93' ' ' LYS . 14.0 p -35.22 111.85 0.44 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.416 ' C ' ' O ' ' A' ' 93' ' ' LYS . 18.3 Cg_endo -74.99 122.15 7.96 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.984 -0.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 40.8 t -56.27 128.42 16.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.754 ' OE1' HD11 ' A' ' 99' ' ' ILE . 6.6 tm0? -151.35 162.38 41.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.628 ' CE1' HD13 ' A' ' 91' ' ' LEU . 86.4 m-85 -142.68 151.72 41.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.905 HG23 HG21 ' A' ' 12' ' ' THR . 4.4 mp -131.24 156.5 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.918 ' O ' HG22 ' A' ' 12' ' ' THR . 3.4 pt20 -110.83 93.49 4.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.578 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -93.85 179.23 38.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -149.77 157.79 43.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 85' ' ' ILE . 14.2 mt -128.78 105.67 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -85.49 142.92 28.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 84' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 1.01 HG23 HG13 ' A' ' 13' ' ' ILE . 5.1 t -95.82 -32.67 12.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 1.01 HG13 HG23 ' A' ' 12' ' ' THR . 7.8 mt -133.79 149.45 30.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -134.2 116.67 15.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.826 ' HD2' HG12 ' A' ' 27' ' ' VAL . 3.7 m-85 -95.13 160.4 14.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 p -132.11 105.24 7.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.645 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -109.22 141.8 40.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.993 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.497 HD12 ' H ' ' A' ' 28' ' ' GLY . 3.1 tp -82.64 111.59 18.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.826 HG12 ' HD2' ' A' ' 15' ' ' TYR . 57.7 t -78.93 -39.06 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.497 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 164.32 177.2 36.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -91.97 141.19 28.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.79 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.864 HD21 ' CG2' ' A' ' 90' ' ' VAL . 6.1 tp -108.04 -54.53 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.481 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -61.78 -44.02 97.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -73.34 -24.5 60.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.558 ' OD2' HG21 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -61.12 -52.85 63.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.881 HD21 HD11 ' A' ' 13' ' ' ILE . 55.1 mt -83.72 5.52 24.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.68 15.33 68.6 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.433 1.083 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' ALA . 77.3 mt -82.78 172.87 12.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.1 m -110.16 154.22 23.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.752 ' O ' HD12 ' A' ' 42' ' ' ILE . 1.4 mm? -47.21 -64.46 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.1 ttp-105 -38.47 -52.72 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -56.6 -51.82 67.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.703 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -60.51 -26.0 66.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.752 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.1 mp -79.77 -52.59 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 p -54.9 -43.03 72.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.158 . . . . 0.0 110.405 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -85.35 9.63 14.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 40.15 90.59 0.01 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.797 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -101.11 128.65 47.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.52 ' CG ' HD23 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -142.33 159.93 41.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.915 HG21 ' HB3' ' A' ' 57' ' ' LEU . 7.6 mm -92.83 132.16 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.543 HD21 ' CB ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 56' ' ' LEU . 5.3 mp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.915 ' HB3' HG21 ' A' ' 48' ' ' ILE . 13.0 mt -137.36 149.18 46.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.6 119.37 4.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.797 HD23 ' O ' ' A' ' 46' ' ' ALA . 10.3 tp -84.13 121.99 28.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 1.4 mm-40 -50.78 -55.44 16.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 4.2 tt0 89.34 -27.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.335 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.467 ' CG ' ' OE2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -96.21 -13.11 23.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.655 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -119.12 -40.45 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.042 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.37 41.78 5.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.555 1.16 . . . . 0.0 110.976 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.483 ' O ' HD12 ' A' ' 59' ' ' LEU . 40.5 m-20 -129.92 162.0 29.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.626 ' CD2' HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -95.82 107.68 19.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.616 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.5 mm? -102.35 150.78 22.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.875 HD22 HD11 ' A' ' 72' ' ' LEU . 4.3 mt -89.15 164.46 15.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -47.42 8.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -159.22 -174.47 4.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.34 122.01 12.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.875 HD11 HD22 ' A' ' 68' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.403 HG23 ' H ' ' A' ' 103' ' ' ILE . 61.4 mt -114.5 135.09 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.597 ' HB3' HD12 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -73.58 153.32 40.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.404 ' CD2' ' N ' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -112.43 117.16 31.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.614 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -151.0 173.71 13.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -154.79 167.01 31.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.864 ' CG2' HD21 ' A' ' 30' ' ' LEU . 24.6 t -118.19 112.94 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.761 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 5.2 tp -93.74 135.99 34.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.489 HD12 ' NE2' ' A' ' 97' ' ' GLN . 89.8 mt -124.43 149.44 46.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 94' ' ' SER . 5.2 mttm -98.07 174.63 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 93' ' ' LYS . 24.7 p -35.47 111.77 0.46 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.429 ' C ' ' O ' ' A' ' 93' ' ' LYS . 18.5 Cg_endo -75.0 122.25 8.05 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.943 -2.524 . . . . 0.0 111.02 0.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 19.1 t -55.58 137.5 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.489 ' NE2' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -159.57 160.01 33.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.761 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 35.9 m-85 -142.44 155.28 45.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.936 HG23 HG21 ' A' ' 12' ' ' THR . 4.9 mp -136.47 166.13 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.615 ' O ' HG22 ' A' ' 12' ' ' THR . 5.4 mt-30 -136.54 92.58 2.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.08 -169.16 36.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -146.4 156.62 43.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.597 HD12 ' HB3' ' A' ' 86' ' ' LEU . 30.3 mt -123.68 106.25 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -90.98 132.63 35.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 1.005 HG23 HG13 ' A' ' 13' ' ' ILE . 5.8 t -102.95 -32.54 9.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.444 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 1.005 HG13 HG23 ' A' ' 12' ' ' THR . 11.2 mt -130.91 152.41 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p -134.76 116.79 15.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.425 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.89 ' CD2' HG12 ' A' ' 27' ' ' VAL . 5.1 m-85 -99.41 157.94 16.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.0 p -132.44 106.6 7.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 105' ' ' LEU . 3.9 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.634 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -119.0 136.38 54.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.775 . . . . 0.0 109.978 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.49 HD12 ' H ' ' A' ' 28' ' ' GLY . 3.3 tp -84.9 112.69 20.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.89 HG12 ' CD2' ' A' ' 15' ' ' TYR . 75.0 t -76.98 -40.53 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.49 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 164.77 -161.34 34.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.405 ' C ' ' OH ' ' A' ' 15' ' ' TYR . 8.0 m120 -107.93 142.77 37.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.653 HD21 HG22 ' A' ' 90' ' ' VAL . 6.1 tp -109.3 -53.27 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.616 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -77.05 -41.85 40.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -18.43 64.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.82 -73.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.417 HD21 ' CD1' ' A' ' 13' ' ' ILE . 3.9 mm? -62.29 -16.36 53.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.52 15.93 48.26 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.478 HD22 HH22 ' A' ' 44' ' ' ARG . 24.1 mt -83.74 156.85 22.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.8 157.68 16.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.971 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.705 ' O ' HD12 ' A' ' 42' ' ' ILE . 3.0 mm? -49.34 -61.28 2.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.838 ' O ' HG23 ' A' ' 43' ' ' THR . 4.2 ttp180 -38.66 -57.86 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.21 -48.05 65.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.616 ' HG ' ' HB2' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -66.27 -24.32 66.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.705 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -80.05 -53.86 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.838 HG23 ' O ' ' A' ' 39' ' ' ARG . 66.5 p -48.66 -46.13 39.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.478 HH22 HD22 ' A' ' 36' ' ' LEU . 35.0 mtm180 -85.9 12.51 9.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.87 88.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.764 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -94.98 124.73 39.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.605 ' CG ' HD23 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -138.28 159.36 42.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.256 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.807 HG21 ' HB3' ' A' ' 57' ' ' LEU . 10.5 mm -92.36 131.22 40.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.565 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.422 ' HA ' ' CB ' ' A' ' 69' ' ' LYS . 1.3 mp . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.807 ' HB3' HG21 ' A' ' 48' ' ' ILE . 16.0 mt -138.64 151.58 47.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.6 tt0 -155.24 116.7 4.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 46' ' ' ALA . 14.4 tp -88.21 101.53 13.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -38.29 -56.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.615 ' O ' HD12 ' A' ' 38' ' ' LEU . 2.3 tt0 86.33 -13.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.05 -30.38 15.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.422 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -112.65 -28.0 7.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.048 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.01 43.39 6.36 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.5 ' O ' HD22 ' A' ' 67' ' ' LEU . 30.4 m-20 -127.24 152.48 47.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.776 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.673 HD23 HD22 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -90.74 106.99 18.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.5 HD22 ' O ' ' A' ' 65' ' ' ASN . 2.3 mm? -103.63 151.43 22.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.634 HD12 ' HB3' ' A' ' 25' ' ' SER . 2.2 mt -88.18 162.97 16.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.422 ' CB ' ' HA ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -78.67 -48.31 15.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -173.51 -174.83 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -42.69 119.07 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.645 HD22 ' H ' ' A' ' 72' ' ' LEU . 1.5 mm? . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.473 HG23 ' H ' ' A' ' 103' ' ' ILE . 88.9 mt -113.41 122.91 68.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.776 HD23 ' N ' ' A' ' 87' ' ' HIS . 3.0 tt -72.4 128.78 36.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.776 ' N ' HD23 ' A' ' 86' ' ' LEU . 6.6 p-80 -90.35 118.74 30.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.62 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.429 ' CD1' HG13 ' A' ' 103' ' ' ILE . 6.3 p90 -144.58 175.91 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.444 ' CG ' ' O ' ' A' ' 99' ' ' ILE . 2.7 mp0 -153.4 166.48 32.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.277 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.653 HG22 HD21 ' A' ' 30' ' ' LEU . 24.6 t -119.16 114.8 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.751 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 4.5 tp -90.35 135.35 33.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 93.4 mt -126.42 152.18 46.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 94' ' ' SER . 9.6 mttt -101.12 174.8 5.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 93' ' ' LYS . 0.8 OUTLIER -31.9 109.09 0.29 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.1 Cg_endo -75.05 122.8 8.49 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.973 -2.511 . . . . 0.0 110.983 0.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 12.5 t -64.0 134.7 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.244 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.419 ' HG2' ' N ' ' A' ' 98' ' ' PHE . 40.3 tt0 -169.95 156.78 6.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.751 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 7.7 m-85 -127.18 158.69 36.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.953 HG23 HG21 ' A' ' 12' ' ' THR . 4.5 mp -128.36 162.46 34.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.609 ' O ' HG22 ' A' ' 12' ' ' THR . 6.3 mt-30 -128.25 88.64 2.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -94.88 -176.73 38.13 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -136.03 165.67 25.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 0.803 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.473 ' H ' HG23 ' A' ' 85' ' ' ILE . 8.1 mt -137.45 103.71 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -98.27 152.88 18.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.405 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 3.0 tp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.446 ' CB ' ' HG3' ' A' ' 102' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 1.011 HG23 HG13 ' A' ' 13' ' ' ILE . 4.8 t -99.75 -32.68 10.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.37 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 1.011 HG13 HG23 ' A' ' 12' ' ' THR . 7.3 mt -128.42 147.26 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p -136.22 117.47 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.414 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.76 ' HD2' HG12 ' A' ' 27' ' ' VAL . 3.1 m-85 -98.7 170.61 8.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.6 p -131.14 117.72 19.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.049 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.445 HG12 HG23 ' A' ' 103' ' ' ILE . 8.9 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.05 136.67 51.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 0.754 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 27' ' ' VAL . 1.3 tp -66.39 112.39 4.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.76 HG12 ' HD2' ' A' ' 15' ' ' TYR . 50.4 t -77.88 -42.46 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.56 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 172.5 173.17 38.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 7.3 m-80 -92.29 136.5 33.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.662 HD21 ' CG2' ' A' ' 90' ' ' VAL . 7.9 tp -108.9 -38.57 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.575 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -78.02 -28.31 49.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.19 -15.81 27.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -72.91 -52.22 15.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.788 HD21 HD11 ' A' ' 13' ' ' ILE . 21.8 mt -83.6 6.41 20.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.31 16.5 64.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.8 mt -78.05 170.7 16.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.9 t -107.86 154.32 21.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.785 HD21 ' O ' ' A' ' 63' ' ' SER . 1.9 mm? -49.45 -62.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.425 ' O ' HG23 ' A' ' 43' ' ' THR . 9.9 ttt-85 -42.58 -46.27 4.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.7 -46.75 89.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.798 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -66.55 -24.56 66.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.723 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.1 mp -81.38 -46.45 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 39' ' ' ARG . 7.8 p -61.56 -44.15 97.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.4 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 -83.8 -0.09 49.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 39.77 79.87 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.547 1.154 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.943 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -89.41 124.58 34.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 0.753 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.776 ' CD ' HD23 ' A' ' 91' ' ' LEU . 13.8 pt20 -127.6 154.11 45.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.875 HG21 ' HB3' ' A' ' 57' ' ' LEU . 48.9 mm -90.63 138.39 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.875 ' HB3' HG21 ' A' ' 48' ' ' ILE . 14.9 mt -149.52 145.0 26.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.432 ' NE2' ' HZ2' ' A' ' 69' ' ' LYS . 2.2 tt0 -154.94 119.64 4.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.943 HD23 ' O ' ' A' ' 46' ' ' ALA . 6.2 tp -86.15 113.37 22.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.51 ' HB2' HD21 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -40.6 -50.65 3.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 3.8 tt0 85.3 -46.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.77 -6.9 54.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.785 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -125.27 -45.34 1.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.42 50.82 1.8 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.57 ' O ' HD22 ' A' ' 67' ' ' LEU . 38.1 m-20 -146.96 153.62 40.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.756 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -86.4 118.75 26.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.57 HD22 ' O ' ' A' ' 65' ' ' ASN . 1.8 mm? -109.89 134.22 52.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.704 HD13 HD21 ' A' ' 72' ' ' LEU . 53.0 mt -74.89 151.8 38.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.432 ' HZ2' ' NE2' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -94.46 -33.14 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -165.1 -174.18 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -71.78 120.1 16.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.704 HD21 HD13 ' A' ' 68' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.4 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 33.5 mt -113.24 136.58 49.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.475 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -71.92 152.36 42.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -109.98 109.86 20.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.629 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.501 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.5 p90 -146.07 170.56 16.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -154.94 143.33 20.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.662 ' CG2' HD21 ' A' ' 30' ' ' LEU . 94.5 t -88.55 116.57 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.776 HD23 ' CD ' ' A' ' 47' ' ' GLN . 5.4 tp -95.55 136.84 35.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.523 ' N ' HD12 ' A' ' 91' ' ' LEU . 39.9 mt -125.88 146.36 49.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 94' ' ' SER . 13.7 mttt -99.37 173.25 6.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 93' ' ' LYS . 22.8 p -34.15 110.94 0.39 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.3 Cg_endo -75.03 122.9 8.57 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.988 0.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 24.0 t -56.58 135.48 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.628 ' OE1' HD11 ' A' ' 99' ' ' ILE . 4.0 tm0? -161.29 153.0 19.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.67 ' C ' HD12 ' A' ' 99' ' ' ILE . 48.9 m-85 -136.64 150.82 48.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.866 HG23 HG21 ' A' ' 12' ' ' THR . 3.8 mp -128.26 162.9 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.985 ' O ' HG22 ' A' ' 12' ' ' THR . 4.8 pt20 -118.82 94.57 4.5 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.501 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -100.07 176.06 27.83 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.446 ' HG3' ' CB ' ' A' ' 11' ' ' ALA . 20.6 mt-10 -142.81 155.46 44.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.773 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.475 ' HB ' ' CB ' ' A' ' 86' ' ' LEU . 19.7 mt -123.87 102.07 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -78.44 148.73 33.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.999 HG23 HG13 ' A' ' 13' ' ' ILE . 6.0 t -105.48 -32.18 8.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.999 HG13 HG23 ' A' ' 12' ' ' THR . 18.0 mt -126.82 149.22 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -136.64 117.16 13.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.855 ' HD2' HG12 ' A' ' 27' ' ' VAL . 3.7 m-85 -100.89 159.1 15.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.3 p -128.14 114.86 17.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.0 p . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.746 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -116.12 137.33 52.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.954 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.527 HD12 ' H ' ' A' ' 28' ' ' GLY . 2.1 tp -83.04 113.09 20.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.855 HG12 ' HD2' ' A' ' 15' ' ' TYR . 85.7 t -83.36 -37.27 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.527 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 156.48 166.18 15.86 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.43 ' OD1' ' N ' ' A' ' 33' ' ' ASP . 12.7 p30 -90.16 146.04 24.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.719 HD13 HD11 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -111.0 -49.88 2.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.589 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -60.38 -22.52 63.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.5 -35.6 12.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.535 ' OD2' ' CE1' ' A' ' 15' ' ' TYR . 12.3 m-20 -56.39 -58.99 5.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.744 HD21 ' CD1' ' A' ' 13' ' ' ILE . 11.0 mt -69.91 -10.02 57.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.35 20.21 77.33 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.6 mt -83.72 178.76 7.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.1 m -114.53 148.29 38.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.903 HD21 ' O ' ' A' ' 63' ' ' SER . 0.9 OUTLIER -41.34 -64.13 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.776 ' O ' HG23 ' A' ' 43' ' ' THR . 25.8 ttt180 -42.25 -50.01 4.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -48.09 78.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 1.045 HD13 ' HB3' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -63.02 -23.7 67.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.693 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -84.07 -47.2 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.776 HG23 ' O ' ' A' ' 39' ' ' ARG . 47.3 p -54.7 -50.37 68.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -85.96 6.9 26.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 110.307 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.13 83.49 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.045 ' HB3' HD13 ' A' ' 41' ' ' LEU . . . -96.02 119.21 34.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 0.737 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.564 ' CD ' HD23 ' A' ' 91' ' ' LEU . 8.9 pt20 -122.93 167.76 13.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.823 HG21 ' HB3' ' A' ' 57' ' ' LEU . 21.2 mm -98.33 133.48 40.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 49' ' ' LEU . 13.9 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.823 ' HB3' HG21 ' A' ' 48' ' ' ILE . 8.4 mt -139.61 149.76 44.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -155.49 115.39 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.446 ' CB ' HG12 ' A' ' 48' ' ' ILE . 1.4 tp -79.06 144.29 34.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.5 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 1.6 mt-10 -98.06 103.66 15.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -76.7 1.0 18.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.95 0.84 39.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.903 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -151.3 -55.47 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.989 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . 111.87 54.31 0.5 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -139.83 157.05 46.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.719 HD11 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -92.7 113.19 25.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.5 ' CD2' ' HB2' ' A' ' 60' ' ' GLU . 2.5 mm? -107.5 139.26 42.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.746 HD12 ' HB3' ' A' ' 25' ' ' SER . 3.6 mt -79.72 163.98 24.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.04 -53.06 4.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -153.96 -177.81 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -55.63 124.96 19.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.739 HD11 HD22 ' A' ' 68' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.413 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 69.6 mt -122.22 131.49 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.402 1.064 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.477 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -72.03 134.49 45.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -97.97 115.45 28.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.62 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.514 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.6 p90 -150.65 171.79 16.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -154.89 148.49 25.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.486 HG21 HD21 ' A' ' 30' ' ' LEU . 87.0 t -91.55 121.9 42.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.746 HD13 ' CE1' ' A' ' 98' ' ' PHE . 7.5 tp -97.1 136.29 37.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 91' ' ' LEU . 85.0 mt -125.19 146.88 49.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 94' ' ' SER . 8.1 mttm -98.53 174.83 6.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 93' ' ' LYS . 21.8 p -34.66 111.09 0.41 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.4 Cg_endo -75.03 122.36 8.13 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.981 0.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 35.8 t -56.06 139.02 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.792 ' OE1' HD11 ' A' ' 99' ' ' ILE . 9.2 tm0? -165.64 157.63 14.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.746 ' CE1' HD13 ' A' ' 91' ' ' LEU . 96.4 m-85 -138.17 147.98 44.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.902 HG23 HG21 ' A' ' 12' ' ' THR . 4.2 mp -125.52 160.21 32.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.94 ' O ' HG22 ' A' ' 12' ' ' THR . 3.0 mt-30 -116.26 100.32 7.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.514 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -101.3 178.12 27.7 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -145.11 161.44 39.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.736 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.667 HD11 HD11 ' A' ' 57' ' ' LEU . 9.2 mt -133.33 106.0 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -94.64 151.83 18.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tp . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.998 HG23 HG13 ' A' ' 13' ' ' ILE . 8.0 t -104.8 -32.21 8.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.998 HG13 HG23 ' A' ' 12' ' ' THR . 19.6 mt -128.07 150.92 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -136.43 117.65 14.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.382 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.845 ' HD2' HG12 ' A' ' 27' ' ' VAL . 3.1 m-85 -101.95 169.05 9.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.967 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.6 p -130.02 105.25 7.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.955 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.733 HG12 HG23 ' A' ' 103' ' ' ILE . 12.3 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.95 139.29 50.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 0.793 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.804 HD13 ' HB3' ' A' ' 65' ' ' ASN . 7.7 tp -68.66 109.29 3.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.853 HG21 HD21 ' A' ' 57' ' ' LEU . 73.9 t -74.14 -50.76 26.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.533 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . -179.93 168.39 38.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -87.34 141.31 28.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.328 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.105 HD21 HG21 ' A' ' 90' ' ' VAL . 7.7 tp -116.93 -64.5 1.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.6 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -60.14 -27.81 67.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -89.45 -24.06 21.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -64.44 -68.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.585 HD21 ' CD1' ' A' ' 13' ' ' ILE . 4.4 mm? -62.78 -14.33 43.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.73 20.51 53.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ALA . 77.6 mt -79.25 168.98 18.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.16 142.93 34.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.887 ' O ' HD12 ' A' ' 42' ' ' ILE . 2.7 mm? -43.35 -52.89 5.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -49.35 -51.46 34.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.343 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.08 -45.79 79.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.774 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -66.39 -27.32 67.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.887 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -78.81 -50.47 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.414 ' HG1' ' H ' ' A' ' 44' ' ' ARG . 6.6 p -52.44 -48.4 65.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.405 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.414 ' H ' ' HG1' ' A' ' 43' ' ' THR . 79.7 mtm-85 -85.48 9.68 15.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' ARG . . . 35.91 85.36 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.132 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.774 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -95.24 127.36 41.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.753 ' CD ' HD23 ' A' ' 91' ' ' LEU . 7.8 pt20 -133.57 154.56 50.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.57 HG21 ' HB3' ' A' ' 57' ' ' LEU . 23.9 mm -91.1 131.03 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.853 HD21 HG21 ' A' ' 27' ' ' VAL . 18.0 mt -107.88 154.01 22.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -155.1 111.16 3.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.65 HD23 ' O ' ' A' ' 46' ' ' ALA . 1.9 tp -82.14 129.19 34.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.6 OUTLIER -58.94 -50.75 72.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.88 ' O ' HD11 ' A' ' 42' ' ' ILE . 1.6 mt-30 86.44 -15.95 0.44 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.39 -13.94 15.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.412 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -116.18 -35.65 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.629 ' N ' HD11 ' A' ' 38' ' ' LEU . . . 87.73 38.62 7.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.127 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.804 ' HB3' HD13 ' A' ' 26' ' ' LEU . 20.4 m120 -133.09 160.98 35.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.754 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -94.79 116.79 29.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.597 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.6 mm? -107.89 144.89 34.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.688 HD22 HD11 ' A' ' 72' ' ' LEU . 20.8 mt -83.45 150.68 25.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -87.21 -42.12 13.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -162.29 -175.07 4.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -63.45 116.1 5.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.688 HD11 HD22 ' A' ' 68' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 56.4 mt -92.0 133.92 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.472 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -72.0 151.97 42.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -114.03 111.64 21.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.591 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.572 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.5 p90 -145.62 172.55 13.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -152.75 158.72 42.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 1.105 HG21 HD21 ' A' ' 30' ' ' LEU . 15.0 t -106.51 107.13 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.753 HD23 ' CD ' ' A' ' 47' ' ' GLN . 6.2 tp -78.02 136.31 37.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.513 ' N ' HD12 ' A' ' 91' ' ' LEU . 90.5 mt -127.1 149.77 49.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.496 ' O ' ' C ' ' A' ' 94' ' ' SER . 21.9 mttm -103.05 173.76 6.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 93' ' ' LYS . 52.6 p -31.93 109.35 0.29 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.4 Cg_endo -74.97 123.5 9.14 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.051 -2.479 . . . . 0.0 110.995 -0.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.1 t -62.46 134.6 27.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -170.9 154.44 4.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.618 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 9.1 m-85 -125.66 158.42 34.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.974 HG23 HG21 ' A' ' 12' ' ' THR . 4.1 mp -125.27 156.75 34.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.812 ' O ' HG22 ' A' ' 12' ' ' THR . 6.1 mt-30 -110.86 89.18 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.335 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.572 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -93.8 163.63 25.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.404 ' OE2' ' O ' ' A' ' 101' ' ' GLY . 29.7 mm-40 -135.21 156.92 48.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 0.778 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.733 HG23 HG12 ' A' ' 17' ' ' VAL . 14.1 mt -129.01 102.5 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -77.97 139.99 39.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.285 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 tp . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.468 ' CB ' ' HG3' ' A' ' 102' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.972 HG23 HG13 ' A' ' 13' ' ' ILE . 6.9 t -107.36 -32.45 7.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.972 HG13 HG23 ' A' ' 12' ' ' THR . 18.6 mt -129.51 151.55 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -136.1 119.66 17.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.389 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.83 ' HD2' HG12 ' A' ' 27' ' ' VAL . 4.2 m-85 -103.64 159.87 15.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 p -126.36 111.05 14.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.993 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.757 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -120.3 136.01 54.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 110.01 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.546 HD12 ' N ' ' A' ' 27' ' ' VAL . 1.9 tp -80.03 114.59 19.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.83 HG12 ' HD2' ' A' ' 15' ' ' TYR . 94.1 t -86.91 -36.92 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.502 ' N ' HD12 ' A' ' 26' ' ' LEU . . . 158.78 166.52 18.0 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 10.3 p30 -91.34 143.93 26.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.752 HD21 HG21 ' A' ' 90' ' ' VAL . 8.4 tp -108.44 -23.77 11.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.481 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -83.67 -31.89 25.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -35.96 20.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.422 ' OD2' ' CE1' ' A' ' 15' ' ' TYR . 4.6 m-20 -50.93 -67.42 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.723 HD21 ' CD1' ' A' ' 13' ' ' ILE . 7.8 mt -62.75 -15.25 52.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.45 19.26 58.87 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ALA . 93.5 mt -86.03 178.34 7.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.777 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.96 158.95 21.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.947 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.031 HD21 ' O ' ' A' ' 63' ' ' SER . 1.4 mm? -47.0 -62.5 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -42.33 -53.71 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.7 -47.79 73.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.844 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -66.1 -24.28 66.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.841 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -79.95 -46.93 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.1 p -56.2 -51.26 68.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.376 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 mtm-85 -79.0 -4.22 48.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.241 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.45 81.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.844 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -95.2 125.21 39.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.258 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -142.78 158.74 43.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.929 HG21 ' HB3' ' A' ' 57' ' ' LEU . 12.8 mm -91.94 125.83 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.573 HD11 ' HB2' ' A' ' 91' ' ' LEU . 10.4 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.738 ' N ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.929 ' HB3' HG21 ' A' ' 48' ' ' ILE . 11.3 mt -143.93 147.64 34.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -155.32 117.48 4.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -86.94 143.6 27.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.476 ' CA ' ' OE1' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -97.62 103.61 15.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.05 -7.19 33.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.11 -10.24 33.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 1.031 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -133.12 -65.45 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . 119.27 36.31 0.87 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.521 ' O ' HD22 ' A' ' 67' ' ' LEU . 67.6 m-20 -125.27 153.48 43.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.719 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -88.46 117.1 27.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.521 HD22 ' O ' ' A' ' 65' ' ' ASN . 2.1 mm? -108.29 135.78 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.933 HD22 HD11 ' A' ' 72' ' ' LEU . 3.3 mt -81.61 151.34 27.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.27 -38.73 50.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -171.91 -175.05 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -52.68 135.54 34.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.933 HD11 HD22 ' A' ' 68' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.502 HG23 ' H ' ' A' ' 103' ' ' ILE . 69.2 mt -120.02 123.36 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -84.48 114.52 21.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.544 ' N ' HD23 ' A' ' 86' ' ' LEU . 7.4 p80 -100.18 124.23 45.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.627 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.559 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 23.2 p90 -117.72 179.69 3.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -136.85 116.03 12.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.752 HG21 HD21 ' A' ' 30' ' ' LEU . 84.9 t -82.4 120.82 34.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 92' ' ' LEU . 8.2 tp -91.71 133.7 35.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.6 ' N ' HD12 ' A' ' 91' ' ' LEU . 31.2 mt -125.97 145.36 50.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.466 ' O ' ' C ' ' A' ' 94' ' ' SER . 10.7 mttp -98.78 175.08 6.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.492 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 24.7 p -34.17 111.09 0.39 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.492 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.4 Cg_endo -75.02 122.42 8.18 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.998 0.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 24.9 t -59.76 133.4 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.463 ' CG ' ' N ' ' A' ' 98' ' ' PHE . 48.0 tt0 -167.31 163.68 15.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.725 ' C ' HD12 ' A' ' 99' ' ' ILE . 15.4 m-85 -134.99 157.19 47.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.922 HG23 HG21 ' A' ' 12' ' ' THR . 3.5 mp -127.45 164.82 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.544 ' O ' HG22 ' A' ' 12' ' ' THR . 2.4 mt-30 -126.73 81.82 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.559 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -84.15 176.06 51.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.468 ' HG3' ' CB ' ' A' ' 11' ' ' ALA . 11.6 mt-10 -134.25 174.44 10.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.502 ' H ' HG23 ' A' ' 85' ' ' ILE . 4.8 mt -145.63 107.25 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -91.86 134.69 34.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.409 ' CB ' ' HG2' ' A' ' 102' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.959 HG21 HG23 ' A' ' 99' ' ' ILE . 3.4 t -90.41 -34.02 15.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.823 HG13 HG23 ' A' ' 12' ' ' THR . 6.2 mt -139.51 143.24 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.97 118.95 15.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.345 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.796 ' HD2' HG12 ' A' ' 27' ' ' VAL . 4.7 m-85 -95.41 167.38 11.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 p -123.76 103.94 8.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 0.0 110.013 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.526 HG11 HG13 ' A' ' 27' ' ' VAL . 11.7 p . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.03 144.85 36.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.017 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' ' 27' ' ' VAL . 1.3 tp -75.47 113.33 12.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.796 HG12 ' HD2' ' A' ' 15' ' ' TYR . 45.1 t -82.19 -38.91 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.564 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 167.83 -173.54 42.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.403 ' C ' ' OH ' ' A' ' 15' ' ' TYR . 5.5 p30 -103.6 137.2 41.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.78 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.942 HD21 HG22 ' A' ' 90' ' ' VAL . 8.3 tp -104.29 -41.53 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.594 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -75.66 -46.63 30.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -15.29 62.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.55 -52.34 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.751 HD21 ' CD1' ' A' ' 13' ' ' ILE . 10.7 mt -87.85 13.28 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.29 23.92 60.61 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' ALA . 93.7 mt -85.36 173.1 10.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.34 146.92 36.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.782 ' O ' HD12 ' A' ' 42' ' ' ILE . 1.3 mm? -45.97 -58.59 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -41.59 -49.16 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -53.1 60.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.622 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -58.04 -26.02 61.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 1.178 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.782 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -76.81 -54.83 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.2 p -58.08 -50.06 74.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.402 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -68.42 -11.07 59.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 50.66 83.83 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.453 1.095 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.868 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -96.56 124.72 40.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.656 ' CD ' HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -130.46 156.93 43.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.332 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.632 HG21 ' HB3' ' A' ' 57' ' ' LEU . 14.0 mm -94.82 131.11 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.0 mt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.418 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 5.2 mp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.632 ' HB3' HG21 ' A' ' 48' ' ' ILE . 25.8 mt -115.8 151.06 35.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -155.32 112.1 3.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 46' ' ' ALA . 3.2 tp -87.52 119.43 27.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 2.2 mm-40 -49.89 -48.79 51.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.622 ' O ' HD11 ' A' ' 42' ' ' ILE . 2.1 tt0 86.01 -11.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.255 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -104.6 -33.17 8.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.351 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -98.01 -28.19 13.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.638 ' N ' HD11 ' A' ' 38' ' ' LEU . . . 79.94 53.3 4.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.487 ' O ' HD12 ' A' ' 59' ' ' LEU . 41.0 m-20 -147.02 169.43 19.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.696 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -99.97 121.09 40.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.541 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.5 mm? -114.99 129.76 56.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.682 HD22 HD21 ' A' ' 72' ' ' LEU . 7.8 mt -72.03 135.97 46.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.565 1.165 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -65.88 -60.39 2.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -140.0 -175.09 4.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.8 ttpp -65.92 111.56 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.682 HD21 HD22 ' A' ' 68' ' ' LEU . 1.1 mm? . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.536 ' CB ' HD22 ' A' ' 105' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.59 HG21 ' HB3' ' A' ' 102' ' ' GLU . 36.2 mt -87.35 138.44 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.4 153.79 33.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.506 ' CE1' ' O ' ' A' ' 85' ' ' ILE . 0.8 OUTLIER -115.39 111.8 21.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.649 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.583 ' CE1' ' O ' ' A' ' 101' ' ' GLY . 18.7 p90 -140.73 174.55 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -154.24 137.42 15.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.942 HG22 HD21 ' A' ' 30' ' ' LEU . 40.5 t -90.08 109.33 20.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.822 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 5.5 tp -86.49 137.73 32.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 91' ' ' LEU . 93.8 mt -131.19 150.58 52.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.48 ' O ' ' C ' ' A' ' 94' ' ' SER . 17.5 mttt -100.23 176.52 5.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 93' ' ' LYS . 42.2 p -33.02 109.92 0.33 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.0 122.43 8.19 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.989 -2.505 . . . . 0.0 111.022 0.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.5 t -62.14 128.85 24.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -163.04 158.23 21.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.822 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 48.2 m-85 -133.31 157.93 44.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.959 HG23 HG21 ' A' ' 12' ' ' THR . 3.8 mp -125.11 164.77 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.609 ' O ' HG22 ' A' ' 12' ' ' THR . 9.2 mt-30 -124.54 79.44 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.583 ' O ' ' CE1' ' A' ' 88' ' ' PHE . . . -99.38 145.47 17.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.59 ' HB3' HG21 ' A' ' 85' ' ' ILE . 43.8 mm-40 -109.82 170.26 8.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.544 ' H ' HG23 ' A' ' 85' ' ' ILE . 9.9 mt -129.02 111.51 23.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 15' ' ' TYR . 78.7 mt-30 -73.59 134.91 43.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.536 HD22 ' CB ' ' A' ' 84' ' ' CYS . 2.4 tp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.97 HG23 HG13 ' A' ' 13' ' ' ILE . 6.0 t -103.03 -29.2 11.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.371 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.97 HG13 HG23 ' A' ' 12' ' ' THR . 10.3 mt -134.97 150.75 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -135.99 117.91 15.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.393 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.821 ' CD2' HG12 ' A' ' 27' ' ' VAL . 6.3 m-85 -98.77 168.35 10.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.1 p -131.94 118.69 20.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.44 ' CB ' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -83.96 133.28 34.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.986 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.497 HD12 ' H ' ' A' ' 28' ' ' GLY . 3.2 tp -69.11 111.6 5.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.821 HG12 ' CD2' ' A' ' 15' ' ' TYR . 47.1 t -83.11 -36.81 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.497 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 160.4 -175.49 37.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 1.3 m-80 -98.93 141.78 31.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.83 HD21 HG22 ' A' ' 90' ' ' VAL . 12.9 tp -107.57 -56.5 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.543 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -59.95 -48.02 83.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -67.38 -35.27 78.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.503 ' OD2' HG21 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -49.92 -51.53 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.798 HD21 HD11 ' A' ' 13' ' ' ILE . 18.4 mt -90.13 20.08 4.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.37 26.55 9.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' ALA . 88.3 mt -86.03 177.63 7.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 t -112.16 144.86 40.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.879 HD21 ' O ' ' A' ' 63' ' ' SER . 2.4 mm? -42.37 -63.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.814 ' O ' HG23 ' A' ' 43' ' ' THR . 7.6 ttp180 -41.13 -55.26 2.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -51.26 -46.21 62.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.803 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -65.91 -22.54 66.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -85.17 -51.47 13.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.814 HG23 ' O ' ' A' ' 39' ' ' ARG . 52.3 p -50.59 -48.44 57.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.38 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 45' ' ' GLY . 53.0 mtm-85 -85.23 11.05 10.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' ARG . . . 36.55 82.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.803 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -92.8 126.4 37.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.747 ' CD ' HD23 ' A' ' 91' ' ' LEU . 8.6 pt20 -130.87 165.63 22.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.967 HG21 ' HB3' ' A' ' 57' ' ' LEU . 24.5 mm -98.07 137.88 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 48' ' ' ILE . 14.7 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.967 ' HB3' HG21 ' A' ' 48' ' ' ILE . 9.8 mt -133.84 151.54 51.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.09 123.74 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 46' ' ' ALA . 14.0 tp -84.25 119.19 24.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 2.3 tt0 -42.35 -61.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.646 ' O ' HD12 ' A' ' 38' ' ' LEU . 0.7 OUTLIER 86.9 -43.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.79 2.15 24.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.879 ' O ' HD21 ' A' ' 38' ' ' LEU . 3.5 m -145.66 -46.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.92 53.98 0.83 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.422 ' O ' HD22 ' A' ' 67' ' ' LEU . 34.9 m120 -137.35 151.99 49.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.362 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.831 HD23 HD22 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -92.74 102.8 15.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.611 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.6 mm? -100.25 147.45 25.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.736 HD13 HD21 ' A' ' 72' ' ' LEU . 12.6 mt -79.4 136.32 36.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.444 ' CD ' ' HG2' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -51.62 -44.18 62.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.444 ' HG2' ' CD ' ' A' ' 69' ' ' LYS . 4.9 pt-20 -176.03 -174.56 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -49.59 127.69 16.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.736 HD21 HD13 ' A' ' 68' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.456 ' O ' ' CD2' ' A' ' 87' ' ' HIS . 72.8 mt -121.93 129.96 74.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.459 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -72.31 152.59 42.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -115.13 116.0 27.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.579 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.408 ' O ' ' HG3' ' A' ' 89' ' ' GLN . 12.7 p90 -147.42 163.33 36.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 88' ' ' PHE . 8.5 mt-30 -141.88 137.74 31.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.83 HG22 HD21 ' A' ' 30' ' ' LEU . 12.0 t -86.21 113.63 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.747 HD23 ' CD ' ' A' ' 47' ' ' GLN . 11.2 tp -88.51 134.92 33.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 91' ' ' LEU . 23.9 mt -125.72 146.63 49.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 94' ' ' SER . 13.1 mttt -97.47 175.29 6.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 93' ' ' LYS . 24.7 p -34.97 111.9 0.43 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.3 Cg_endo -75.01 122.61 8.34 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.979 -0.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.1 t -57.63 130.71 20.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.135 . . . . 0.0 109.359 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 98' ' ' PHE . 46.6 tt0 -159.25 152.01 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.695 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 51.1 m-85 -129.35 158.49 38.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.887 HG23 HG21 ' A' ' 12' ' ' THR . 4.7 mp -134.09 164.83 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.601 ' O ' HG22 ' A' ' 12' ' ' THR . 6.0 mt-30 -127.95 85.05 2.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -87.51 -170.44 46.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -148.35 162.08 40.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.74 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.477 HD11 HD11 ' A' ' 57' ' ' LEU . 9.3 mt -131.6 101.94 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -89.47 150.48 22.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.333 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.954 HG21 HG23 ' A' ' 99' ' ' ILE . 2.8 t -98.14 -33.3 11.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.747 HG13 HG23 ' A' ' 12' ' ' THR . 14.9 mt -134.37 151.62 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -135.78 124.83 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.887 ' CD2' HG12 ' A' ' 27' ' ' VAL . 8.9 m-85 -107.35 166.48 10.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.9 p -132.39 113.4 13.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.96 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 105' ' ' LEU . 7.1 p . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.636 ' CB ' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -81.51 134.83 35.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.785 . . . . 0.0 110.012 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 27' ' ' VAL . 2.8 tp -68.92 112.82 5.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.887 HG12 ' CD2' ' A' ' 15' ' ' TYR . 34.8 t -86.0 -37.58 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.448 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 162.58 -165.29 36.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.415 ' O ' ' OH ' ' A' ' 15' ' ' TYR . 8.9 m-20 -108.83 143.84 37.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.818 HD21 HG22 ' A' ' 90' ' ' VAL . 13.2 tp -111.28 -42.87 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.86 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -82.74 -41.75 18.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -73.78 -15.2 61.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.406 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -66.73 -76.27 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.462 HD21 ' CD1' ' A' ' 13' ' ' ILE . 4.5 mm? -62.63 -14.59 45.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.09 16.45 53.97 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.3 mt -73.97 166.78 22.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.7 m -103.19 151.27 22.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.754 HD21 ' O ' ' A' ' 63' ' ' SER . 2.6 mm? -49.98 -57.61 7.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -36.98 -52.91 0.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.63 -52.47 65.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.86 ' HG ' ' HB2' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -55.37 -25.63 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.625 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -83.6 -60.43 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.4 p -55.65 -39.23 70.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -80.41 4.17 18.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 39.12 73.68 0.16 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.758 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -94.67 124.17 38.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.574 ' CD ' HD23 ' A' ' 91' ' ' LEU . 8.6 pt20 -132.96 169.3 16.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.871 HG21 ' HB3' ' A' ' 57' ' ' LEU . 18.2 mm -101.1 137.86 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.871 ' HB3' HG21 ' A' ' 48' ' ' ILE . 12.2 mt -148.57 145.97 28.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.05 110.4 3.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.274 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.57 137.82 31.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.601 ' OE2' HD21 ' A' ' 67' ' ' LEU . 14.4 pt-20 -98.18 111.94 24.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.4 -0.07 21.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -13.48 57.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.754 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -141.38 -52.67 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.74 57.71 0.4 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -138.0 152.29 48.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.685 HD23 HD22 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -95.04 107.23 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.601 HD21 ' OE2' ' A' ' 60' ' ' GLU . 1.7 mm? -103.04 155.76 18.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.636 HD12 ' CB ' ' A' ' 25' ' ' SER . 5.1 mt -88.15 142.46 27.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -62.85 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -157.2 -173.98 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -48.82 123.9 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.628 HD22 ' H ' ' A' ' 72' ' ' LEU . 1.1 mm? . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.422 HG23 ' H ' ' A' ' 103' ' ' ILE . 68.2 mt -119.45 134.6 62.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.465 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -74.0 153.13 39.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -113.84 114.19 25.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.621 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.412 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 8.6 p90 -146.66 171.5 15.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 99' ' ' ILE . 2.7 mp0 -154.81 136.31 14.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.818 HG22 HD21 ' A' ' 30' ' ' LEU . 15.6 t -85.49 113.5 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.576 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 4.5 tp -88.21 136.89 32.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 91' ' ' LEU . 92.6 mt -125.63 147.78 49.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 94' ' ' SER . 34.6 mttt -100.79 173.15 6.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 93' ' ' LYS . 39.0 p -33.98 110.89 0.38 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.004 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.05 122.74 8.45 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.978 0.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.0 t -57.38 140.1 16.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -168.47 146.08 4.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.576 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 54.7 m-85 -125.7 154.05 42.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.954 HG23 HG21 ' A' ' 12' ' ' THR . 4.2 mp -128.96 165.21 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.63 ' O ' HG22 ' A' ' 12' ' ' THR . 5.2 mt-30 -132.64 86.35 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.345 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.412 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -89.92 -174.42 45.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -140.79 155.31 46.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 110.332 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.465 ' HB ' ' CB ' ' A' ' 86' ' ' LEU . 8.9 mt -125.82 103.1 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -89.91 154.05 20.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 1.2 tp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.666 ' HB2' ' OE2' ' A' ' 102' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.965 HG23 HG13 ' A' ' 13' ' ' ILE . 4.2 t -99.09 -33.18 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.442 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.965 HG13 HG23 ' A' ' 12' ' ' THR . 5.1 mt -133.37 143.51 38.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 p -137.27 115.03 11.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.799 ' HD2' HG12 ' A' ' 27' ' ' VAL . 3.5 m-85 -97.86 169.06 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.7 p -128.54 115.79 18.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.005 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.45 138.74 44.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 109.987 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.625 HD12 ' H ' ' A' ' 28' ' ' GLY . 3.6 tp -70.53 111.32 5.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.799 HG12 ' HD2' ' A' ' 15' ' ' TYR . 48.3 t -80.5 -33.28 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.625 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 157.65 168.29 19.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.456 ' C ' ' HH ' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -93.1 139.77 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.945 HD21 HG21 ' A' ' 90' ' ' VAL . 7.8 tp -104.4 -54.51 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.578 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -60.41 -31.91 70.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -81.44 -34.41 31.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.12 -68.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.504 HD21 ' CD1' ' A' ' 13' ' ' ILE . 4.3 mm? -62.78 -16.15 56.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.37 10.78 70.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' ALA . 27.3 mt -74.02 163.69 27.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.8 m -99.25 142.78 30.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.588 1.18 . . . . 0.0 110.048 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 61' ' ' GLN . 1.6 mm? -41.23 -58.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -39.61 -54.88 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -54.59 -53.55 53.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 0.0 110.295 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.585 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -57.01 -47.08 81.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mt -55.41 -58.88 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.1 p -52.89 -53.15 53.34 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 -64.17 -15.66 60.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.18 76.31 0.2 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.86 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -94.03 125.42 38.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.634 ' CD ' HD23 ' A' ' 91' ' ' LEU . 8.2 pt20 -129.24 158.23 39.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.511 HG21 ' CB ' ' A' ' 57' ' ' LEU . 9.4 mm -92.77 130.71 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.0 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.32 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.688 HD21 HG21 ' A' ' 27' ' ' VAL . 20.3 mt -117.74 160.18 21.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.37 103.35 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.86 HD23 ' O ' ' A' ' 46' ' ' ALA . 15.1 tp -78.69 99.5 6.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.455 ' HG2' ' CD2' ' A' ' 67' ' ' LEU . 15.4 pt-20 -48.54 -38.26 19.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.547 ' O ' HD12 ' A' ' 38' ' ' LEU . 1.2 tt0 74.38 3.33 4.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -81.72 -45.56 15.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.419 ' C ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -124.0 5.02 8.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.028 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.16 47.37 59.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.593 ' ND2' HD22 ' A' ' 26' ' ' LEU . 13.3 m-20 -119.41 149.98 40.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.763 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -92.3 119.08 31.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.455 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 2.2 mm? -111.65 140.07 46.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.625 HD22 HD21 ' A' ' 72' ' ' LEU . 12.4 mt -81.58 143.45 31.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.409 ' CE ' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -74.91 -42.81 57.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -162.72 -175.6 4.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.65 116.06 3.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.625 HD21 HD22 ' A' ' 68' ' ' LEU . 1.5 mm? . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.63 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 103' ' ' ILE . 86.9 mt -135.24 138.55 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.469 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -71.71 149.3 45.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -107.21 110.66 22.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.577 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.581 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 4.2 p90 -148.81 169.22 20.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -150.9 163.66 38.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.945 HG21 HD21 ' A' ' 30' ' ' LEU . 42.1 t -109.72 115.02 48.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.718 HD13 ' CE1' ' A' ' 98' ' ' PHE . 8.4 tp -86.6 134.81 33.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.579 ' N ' HD12 ' A' ' 91' ' ' LEU . 95.5 mt -124.82 146.83 49.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 94' ' ' SER . 0.4 OUTLIER -99.27 175.19 5.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.351 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 93' ' ' LYS . 35.5 p -34.88 111.53 0.42 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.02 122.77 8.47 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.99 0.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.1 t -57.31 132.67 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.404 ' HG2' ' N ' ' A' ' 98' ' ' PHE . 52.5 tt0 -163.08 159.29 23.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.718 ' CE1' HD13 ' A' ' 91' ' ' LEU . 90.9 m-85 -137.01 155.52 49.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.943 HG23 HG21 ' A' ' 12' ' ' THR . 3.8 mp -125.38 164.67 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.588 ' O ' HG22 ' A' ' 12' ' ' THR . 21.5 mt-30 -118.55 78.9 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.581 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -80.48 164.69 47.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.666 ' OE2' ' HB2' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -137.07 153.86 50.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.567 ' O ' HG23 ' A' ' 85' ' ' ILE . 11.2 mt -125.91 101.48 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 15' ' ' TYR . 4.6 mt-30 -77.07 120.54 22.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.63 HD23 ' O ' ' A' ' 84' ' ' CYS . 4.6 mm? . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.354 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m -160.11 144.99 14.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 110.009 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -153.96 79.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.43 -150.26 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.43 141.66 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.43 160.43 0.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.37 126.19 1.55 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.53 167.79 28.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.79 111.93 2.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.34 -54.68 3.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.95 130.79 22.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 1.036 HG23 HG13 ' A' ' 13' ' ' ILE . 5.3 t -108.84 -32.35 7.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.407 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 1.036 HG13 HG23 ' A' ' 12' ' ' THR . 9.6 mt -127.81 147.72 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 p -136.28 116.87 13.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 110.431 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.839 ' HD2' HG12 ' A' ' 27' ' ' VAL . 4.4 m-85 -97.23 168.59 10.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.4 p -126.71 122.08 33.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.99 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.72 HG21 HG21 ' A' ' 21' ' ' THR . 8.9 p -162.25 142.09 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.94 -156.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.684 ' HB3' HD11 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -113.7 -28.0 7.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 2.0 pt-20 -97.02 21.86 9.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.72 HG21 HG21 ' A' ' 17' ' ' VAL . 1.7 m -40.75 129.3 2.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.386 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -75.33 161.65 29.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -75.22 128.26 35.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.67 14.49 56.68 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.61 140.88 29.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.983 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.751 HD22 ' ND2' ' A' ' 65' ' ' ASN . 2.2 tp -73.67 112.9 10.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.839 HG12 ' HD2' ' A' ' 15' ' ' TYR . 79.6 t -75.2 -45.82 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.508 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 174.74 -179.65 45.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' A' ' 64' ' ' GLY . 42.5 m-80 -97.92 140.72 31.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.757 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.641 HD21 ' CG2' ' A' ' 90' ' ' VAL . 9.1 tp -110.47 -50.25 2.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.483 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -69.26 -31.51 70.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.7 -24.09 25.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.405 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -62.53 -63.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.803 HD21 HD11 ' A' ' 13' ' ' ILE . 12.9 mt -67.03 -11.31 56.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.63 11.25 80.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.6 mt -79.45 175.04 10.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 0.793 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.5 t -105.99 147.37 28.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.947 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.802 ' O ' HD12 ' A' ' 42' ' ' ILE . 3.4 mm? -44.09 -51.23 8.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.88 ' O ' HG23 ' A' ' 43' ' ' THR . 0.0 OUTLIER -46.99 -55.58 7.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.259 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -54.04 -40.72 67.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.862 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -70.8 -30.9 67.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.802 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -76.11 -54.74 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.88 HG23 ' O ' ' A' ' 39' ' ' ARG . 68.7 p -49.55 -48.61 48.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.374 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -87.12 13.63 9.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 36.41 89.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.862 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -98.77 119.76 38.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.57 172.27 11.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.664 HG21 ' CB ' ' A' ' 57' ' ' LEU . 16.0 mm -102.99 132.44 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.7 mt -113.71 106.26 14.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.361 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 t -136.55 116.12 12.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.468 ' HE3' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 68.25 157.62 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.13 -59.94 5.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -109.28 134.89 51.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.776 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.0 mttt 67.51 112.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -95.31 145.25 25.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.501 HD22 HD21 ' A' ' 77' ' ' LEU . 4.6 mp -97.76 16.43 20.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.664 ' CB ' HG21 ' A' ' 48' ' ' ILE . 75.4 mt -147.01 153.62 40.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -154.75 103.17 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.659 HD23 ' O ' ' A' ' 46' ' ' ALA . 22.8 tp -78.56 107.18 11.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.452 ' HG2' ' CD2' ' A' ' 67' ' ' LEU . 7.6 pt-20 -52.53 -33.68 46.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 46' ' ' ALA . 23.0 mt-30 66.8 26.1 9.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -106.33 -48.03 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.432 ' C ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -123.89 0.12 8.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 29' ' ' ASN . . . 75.38 57.52 4.24 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.751 ' ND2' HD22 ' A' ' 26' ' ' LEU . 30.7 m-20 -130.35 131.92 45.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.787 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.802 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -78.97 122.89 26.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.684 HD22 ' O ' ' A' ' 65' ' ' ASN . 1.7 mm? -110.25 139.42 45.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.646 HD23 HD23 ' A' ' 57' ' ' LEU . 79.1 mt -80.92 144.42 31.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.62 -60.87 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -140.34 -175.66 4.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -74.78 116.38 15.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.446 ' CD2' ' HB ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -47.83 173.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.475 ' O ' ' CB ' ' A' ' 74' ' ' ARG . 0.2 OUTLIER -115.7 -71.37 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.475 ' CB ' ' O ' ' A' ' 73' ' ' ASP . 0.2 OUTLIER 159.71 -82.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.348 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -57.47 -37.35 72.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -46.06 -47.27 17.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.501 HD21 HD22 ' A' ' 56' ' ' LEU . 4.4 mt -91.08 -73.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.9 p -148.2 -59.74 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 108.303 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.69 95.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.63 -58.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 109.955 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.9 m -38.5 150.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.461 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 0.3 OUTLIER -111.81 158.11 37.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.2 Cg_endo -74.97 -13.61 23.46 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.029 -0.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.543 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.5 OUTLIER 81.42 68.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 108.302 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.435 HG23 ' O ' ' A' ' 103' ' ' ILE . 88.5 mt -125.73 134.97 65.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.5 HD22 HD12 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -71.91 150.25 44.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -110.13 112.41 24.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.604 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.546 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 4.5 p90 -148.53 172.1 15.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -153.6 143.47 21.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.641 ' CG2' HD21 ' A' ' 30' ' ' LEU . 98.7 t -88.61 116.83 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.555 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 5.3 tp -93.13 136.89 32.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 97' ' ' GLN . 70.9 mt -127.46 146.82 50.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 94' ' ' SER . 13.1 mttt -97.37 175.43 6.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 93' ' ' LYS . 42.3 p -35.12 111.66 0.44 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.035 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.1 Cg_endo -75.11 122.65 8.39 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.967 0.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 24.0 t -56.67 126.83 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.564 ' HB3' HD12 ' A' ' 92' ' ' LEU . 3.8 tm0? -152.97 153.44 32.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.572 ' C ' HD12 ' A' ' 99' ' ' ILE . 72.4 m-85 -135.93 148.5 48.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.928 HG23 HG21 ' A' ' 12' ' ' THR . 3.8 mp -124.16 159.75 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.699 ' O ' HG22 ' A' ' 12' ' ' THR . 8.5 mt-30 -113.47 81.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.546 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -81.7 -177.74 51.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -155.87 155.85 33.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.756 . . . . 0.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.5 HD12 HD22 ' A' ' 86' ' ' LEU . 10.2 mt -123.26 109.86 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -90.97 144.3 25.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.684 HD11 ' HB3' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -69.4 144.22 53.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.75 81.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 105' ' ' LEU . 1.5 m-20 -102.12 53.18 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.9 t -83.98 115.17 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -175.15 66.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 112' ' ' ALA . 24.8 t0 -163.97 -48.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.476 ' O ' ' HB3' ' A' ' 112' ' ' ALA . 0.2 OUTLIER 67.63 -70.62 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.572 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 111' ' ' HIS . . . 70.38 149.34 0.12 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 142.96 28.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -167.22 147.99 5.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -176.6 88.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.44 162.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -152.78 142.83 22.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.3 t0 179.41 106.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.53 141.73 23.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.33 122.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 110.049 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -178.1 112.14 0.36 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.1 . . . . 0.0 111.041 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -177.69 3.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.0 p -164.68 152.26 11.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.036 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.89 154.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.568 1.168 . . . . 0.0 110.981 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t 75.39 -59.85 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m 60.86 158.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.037 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.07 90.57 0.08 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.3 p -167.31 169.92 12.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 0.75 . . . . 0.0 110.012 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.77 130.49 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.89 177.43 19.72 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.84 -58.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.07 -164.82 7.57 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.46 1.1 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.2 t -162.52 -52.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 110.055 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.94 130.06 36.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.95 HG21 HG23 ' A' ' 99' ' ' ILE . 3.6 t -97.36 -32.75 11.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.408 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.869 HG13 HG23 ' A' ' 12' ' ' THR . 9.0 mt -135.44 149.87 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.6 p -135.54 116.88 14.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.348 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.857 ' HD2' HG12 ' A' ' 27' ' ' VAL . 4.2 m-85 -96.87 162.16 13.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.6 p -131.12 106.4 8.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.651 ' CG2' HG21 ' A' ' 21' ' ' THR . 2.4 p -133.08 125.9 52.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.24 -164.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.247 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.466 ' OE1' HD11 ' A' ' 105' ' ' LEU . 1.1 pm0 -100.1 -25.98 14.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -78.11 59.73 2.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.651 HG21 ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -103.58 127.59 50.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.397 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.12 156.5 46.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.97 103.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.53 44.86 0.88 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.655 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -123.54 137.67 54.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 110.004 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 27' ' ' VAL . 2.3 tp -81.28 112.7 18.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.857 HG12 ' HD2' ' A' ' 15' ' ' TYR . 56.5 t -77.14 -42.7 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.451 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 169.18 179.65 41.29 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -93.03 139.26 30.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.809 HD21 HG22 ' A' ' 90' ' ' VAL . 9.9 tp -107.94 -63.28 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.61 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -61.58 -36.44 80.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.16 -20.15 52.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.464 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -70.96 -47.68 57.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.79 HD21 HD11 ' A' ' 13' ' ' ILE . 37.8 mt -89.12 12.9 14.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.69 14.44 29.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.61 HD22 ' NH2' ' A' ' 44' ' ' ARG . 40.4 mt -77.01 168.53 19.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -105.84 149.04 26.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.032 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.919 HD21 ' O ' ' A' ' 63' ' ' SER . 1.5 mm? -48.11 -60.32 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -41.98 -47.55 4.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -48.79 80.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.255 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.802 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -63.66 -26.54 68.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.746 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.1 mp -79.39 -52.85 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.9 p -54.98 -46.17 75.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.433 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.61 ' NH2' HD22 ' A' ' 36' ' ' LEU . 25.6 mtm180 -83.09 5.61 21.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 44' ' ' ARG . . . 40.7 93.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.864 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -101.58 132.52 47.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.488 ' CD ' HD23 ' A' ' 91' ' ' LEU . 9.2 pt20 -138.82 163.52 32.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.649 HG21 ' HB3' ' A' ' 57' ' ' LEU . 20.3 mm -98.75 131.51 45.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 88' ' ' PHE . 16.6 mt -113.46 107.7 16.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.12 127.01 27.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.962 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.69 143.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -42.53 -76.69 0.1 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -124.0 96.27 4.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.54 -63.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 60.89 104.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 mp -98.38 3.32 48.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.649 ' HB3' HG21 ' A' ' 48' ' ' ILE . 18.9 mt -120.78 158.16 28.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -154.77 114.08 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.864 HD23 ' O ' ' A' ' 46' ' ' ALA . 4.9 tp -80.59 113.54 18.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -39.99 -55.56 2.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.63 ' O ' HD12 ' A' ' 38' ' ' LEU . 1.9 tt0 86.09 -47.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -73.56 -18.86 61.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.919 ' O ' HD21 ' A' ' 38' ' ' LEU . 1.6 m -116.18 -47.93 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.948 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.513 ' CA ' HD11 ' A' ' 38' ' ' LEU . . . 103.11 42.66 2.03 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.039 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.459 ' O ' HD22 ' A' ' 67' ' ' LEU . 48.1 m-20 -130.59 156.42 44.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.777 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.482 ' CD2' HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -91.1 108.58 19.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.477 ' CD2' ' HB2' ' A' ' 60' ' ' GLU . 2.4 mm? -102.54 149.48 24.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.655 HD12 ' HB3' ' A' ' 25' ' ' SER . 3.6 mt -89.55 168.44 12.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.8 -54.28 3.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -153.62 175.08 13.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -50.59 133.93 24.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.611 HD22 ' H ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -80.56 90.28 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.4 103.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 78' ' ' CYS . 0.2 OUTLIER -59.86 -43.11 94.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.262 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -58.04 -58.87 6.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -49.15 -59.39 3.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.24 -75.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 74' ' ' ARG . 1.8 p -172.03 100.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 108.337 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 80' ' ' SER . . . -46.88 110.33 0.53 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' GLY . 0.2 OUTLIER 37.31 81.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.979 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.429 ' CB ' ' HB2' ' A' ' 78' ' ' CYS . 51.8 m -131.22 165.43 23.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.48 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 17.8 p30 -135.5 147.56 62.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.48 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.4 Cg_endo -74.95 -29.26 6.87 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.01 -0.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 71.03 75.98 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 108.292 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.473 HG23 ' H ' ' A' ' 103' ' ' ILE . 83.5 mt -106.84 131.59 56.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.597 HD23 ' N ' ' A' ' 87' ' ' HIS . 2.4 tt -73.32 151.01 41.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.597 ' N ' HD23 ' A' ' 86' ' ' LEU . 1.4 p80 -110.87 113.42 25.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.547 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 49' ' ' LEU . 11.1 p90 -143.19 171.42 14.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.28 138.67 17.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.809 HG22 HD21 ' A' ' 30' ' ' LEU . 11.4 t -87.93 113.89 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.834 HD13 ' CE2' ' A' ' 98' ' ' PHE . 9.8 tp -91.33 135.68 33.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.48 ' N ' HD12 ' A' ' 91' ' ' LEU . 97.7 mt -128.42 147.48 50.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 94' ' ' SER . 10.1 mttm -99.26 175.35 5.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.488 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 87.2 p -33.34 110.3 0.35 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.488 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.3 Cg_endo -75.03 122.98 8.64 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.965 -2.515 . . . . 0.0 110.978 -0.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 16.6 t -60.28 137.97 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -170.52 145.17 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.338 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.834 ' CE2' HD13 ' A' ' 91' ' ' LEU . 87.5 m-85 -123.95 158.84 31.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.95 HG23 HG21 ' A' ' 12' ' ' THR . 4.4 mp -131.41 165.48 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.51 ' O ' HG22 ' A' ' 12' ' ' THR . 5.5 mt-30 -131.85 80.49 1.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.16 -168.41 44.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -147.47 161.49 40.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 110.267 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.473 ' H ' HG23 ' A' ' 85' ' ' ILE . 5.4 mt -130.6 105.25 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -92.11 140.05 30.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.466 HD11 ' OE1' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -90.7 129.28 36.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -58.52 127.22 31.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.23 139.66 37.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 108' ' ' VAL . 5.0 t -89.48 96.65 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 34.4 t30 177.38 164.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -82.39 111.25 18.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.22 166.55 29.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.585 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -178.02 150.14 0.74 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.464 ' O ' ' CG ' ' A' ' 114' ' ' GLU . 18.1 Cg_endo -75.0 158.65 42.08 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 113' ' ' PRO . 0.6 OUTLIER 174.6 80.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -173.59 135.7 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.14 140.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 177.72 149.56 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -172.87 139.65 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 178.91 167.84 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 t 68.79 149.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -156.85 -178.22 30.73 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 161.07 39.35 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.494 1.786 . . . . 0.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -162.02 149.48 14.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.58 169.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.409 1.068 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 p -128.87 170.92 12.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 0.749 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 p -106.04 169.47 8.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.53 -146.43 13.53 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.29 171.48 14.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.754 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -122.97 171.13 9.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.041 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.26 -159.51 9.34 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.469 1.106 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.59 171.96 4.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.18 160.03 9.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.69 -62.66 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 110.012 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.96 130.53 18.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.981 HG23 HG13 ' A' ' 13' ' ' ILE . 5.9 t -102.46 -32.04 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.981 HG13 HG23 ' A' ' 12' ' ' THR . 14.0 mt -128.89 150.23 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -135.75 117.03 14.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.806 ' HD2' HG12 ' A' ' 27' ' ' VAL . 2.9 m-85 -101.53 163.86 12.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.8 p -122.0 115.42 22.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.727 ' CG2' HG21 ' A' ' 21' ' ' THR . 5.4 p -160.73 148.72 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -165.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.03 -25.25 11.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.59 25.35 11.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.727 HG21 ' CG2' ' A' ' 17' ' ' VAL . 1.7 m -43.17 128.75 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.405 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.469 ' O ' HD12 ' A' ' 68' ' ' LEU . 16.5 t70 -62.38 163.5 8.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -78.81 143.14 36.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.73 22.74 68.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.6 147.25 25.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.856 HD22 ' ND2' ' A' ' 65' ' ' ASN . 1.3 tp -79.64 113.67 17.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.806 HG12 ' HD2' ' A' ' 15' ' ' TYR . 39.4 t -73.27 -47.96 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.528 ' CA ' ' CE2' ' A' ' 15' ' ' TYR . . . 175.46 174.8 42.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' OD1' ' OD1' ' A' ' 65' ' ' ASN . 26.8 m-20 -89.16 130.53 35.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 0.76 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.92 HD13 HD11 ' A' ' 66' ' ' LEU . 1.1 tp -101.82 -61.67 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.468 ' CB ' ' HG ' ' A' ' 41' ' ' LEU . . . -52.27 -42.46 63.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -40.94 65.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -45.23 -62.24 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.826 HD21 HD11 ' A' ' 13' ' ' ILE . 11.7 mt -69.67 -23.34 63.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.97 16.64 53.94 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.427 1.079 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 77.8 mt -84.87 144.49 28.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 0.725 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 m -73.96 143.91 45.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.615 ' O ' HD12 ' A' ' 42' ' ' ILE . 1.2 mm? -40.99 -59.93 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.851 ' O ' HG23 ' A' ' 43' ' ' THR . 2.9 ttp180 -38.41 -54.76 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.69 -53.52 46.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.869 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -58.73 -25.11 62.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.615 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -81.15 -55.62 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.851 HG23 ' O ' ' A' ' 39' ' ' ARG . 44.4 p -53.56 -44.93 69.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' GLY . 54.0 mtp180 -83.75 6.8 19.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.246 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 44' ' ' ARG . . . 36.78 91.8 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.869 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -101.34 127.62 47.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.616 ' HG3' HD23 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -135.7 159.37 41.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.614 HG21 ' CB ' ' A' ' 57' ' ' LEU . 12.7 mm -94.26 129.92 43.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 49' ' ' LEU . 13.2 mt -110.9 107.5 16.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 m -135.97 127.53 28.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mttt 59.71 157.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.21 -60.45 5.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.094 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.53 133.55 53.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.52 96.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -76.13 158.96 31.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.526 HD23 HD12 ' A' ' 72' ' ' LEU . 4.4 mp -111.06 12.88 21.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.682 HD23 HD23 ' A' ' 68' ' ' LEU . 93.1 mt -147.86 154.96 41.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -155.12 107.24 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 46' ' ' ALA . 29.5 tp -79.56 98.28 6.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.485 ' HG2' ' CD2' ' A' ' 67' ' ' LEU . 9.0 pt-20 -46.16 -29.13 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 62.91 26.31 15.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -106.43 -49.06 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.72 13.95 7.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.05 57.15 18.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.856 ' ND2' HD22 ' A' ' 26' ' ' LEU . 28.4 m-20 -128.24 135.62 49.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.753 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.92 HD11 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -83.1 122.98 29.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.562 HD22 ' O ' ' A' ' 65' ' ' ASN . 1.6 mm? -112.73 138.53 49.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.682 HD23 HD23 ' A' ' 57' ' ' LEU . 12.4 mt -80.16 143.47 33.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.53 -55.33 8.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -146.42 -177.24 5.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -65.68 110.94 2.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.627 HD22 ' H ' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -56.31 136.7 53.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.906 ' O ' HD12 ' A' ' 77' ' ' LEU . 6.7 m-20 -74.25 143.68 44.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -85.42 -73.31 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -48.82 -57.45 6.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -39.15 -64.8 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.906 HD12 ' O ' ' A' ' 73' ' ' ASP . 11.1 mt -65.93 -77.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.43 96.08 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 108.317 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -37.49 -44.57 1.25 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.46 97.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.501 HG23 ' N ' ' A' ' 82' ' ' ASN . 0.7 OUTLIER -154.69 -177.38 6.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.366 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.501 ' N ' HG23 ' A' ' 81' ' ' THR . 0.7 OUTLIER -143.16 155.27 61.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.4 Cg_endo -75.02 -20.19 16.79 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.008 -2.496 . . . . 0.0 110.991 0.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.6 t 64.97 67.73 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 108.328 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.428 HG23 ' O ' ' A' ' 103' ' ' ILE . 54.0 mt -102.59 133.33 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.05 148.29 45.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -106.12 113.88 27.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.581 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.558 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.8 p90 -147.57 172.99 13.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 88' ' ' PHE . 10.1 mp0 -154.15 152.56 30.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.349 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.523 HG21 HD21 ' A' ' 30' ' ' LEU . 61.5 t -100.34 110.02 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.717 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 3.6 tp -84.8 137.7 33.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.488 ' N ' HD12 ' A' ' 91' ' ' LEU . 95.1 mt -128.25 148.46 50.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.488 ' O ' ' C ' ' A' ' 94' ' ' SER . 21.5 mttm -100.63 174.02 6.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 93' ' ' LYS . 89.4 p -32.11 109.6 0.3 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.3 Cg_endo -75.04 123.69 9.36 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.991 0.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.8 t -61.46 134.86 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -170.99 152.09 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.717 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 18.8 m-85 -128.2 156.24 43.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.939 HG23 HG21 ' A' ' 12' ' ' THR . 3.8 mp -123.04 163.16 22.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.723 ' O ' HG22 ' A' ' 12' ' ' THR . 7.0 mt-30 -117.65 81.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.558 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -83.59 -177.8 51.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -151.04 153.91 36.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.558 HG23 HG12 ' A' ' 17' ' ' VAL . 19.0 mt -125.27 104.36 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 15' ' ' TYR . 20.8 mt-30 -76.34 149.36 37.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 tp -83.83 123.64 30.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -39.31 106.77 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 110.34 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.48 141.7 43.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.1 p -40.39 159.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -171.0 -53.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -177.84 137.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.74 58.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.621 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -177.79 148.88 0.7 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.254 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.53 19.1 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.439 1.758 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.19 138.35 14.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.406 ' O ' ' CB ' ' A' ' 116' ' ' MET . 2.4 t80 -132.18 -42.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.406 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 0.0 OUTLIER 75.17 135.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -154.32 133.42 12.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 176.52 142.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -171.24 164.91 7.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.56 167.3 15.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.011 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 163.94 108.88 0.22 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.52 12.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.58 142.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.949 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.42 168.36 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.442 1.089 . . . . 0.0 110.969 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.0 p -177.6 163.34 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.74 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.9 p -170.54 173.41 5.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.51 -160.41 8.34 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.451 1.095 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 p 179.74 144.49 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 109.998 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.91 160.82 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.92 133.86 1.68 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.13 165.43 6.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.76 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.23 130.38 8.59 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 t -161.89 174.78 12.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -46.62 130.31 11.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 1.006 HG23 HG13 ' A' ' 13' ' ' ILE . 5.2 t -96.77 -32.02 12.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.441 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 1.006 HG13 HG23 ' A' ' 12' ' ' THR . 8.2 mt -132.84 149.81 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 p -135.32 117.42 15.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.386 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.822 ' HD2' HG12 ' A' ' 27' ' ' VAL . 4.1 m-85 -97.78 160.83 14.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.7 p -132.06 105.17 7.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.632 ' CG2' HG21 ' A' ' 21' ' ' THR . 2.5 p -131.92 127.44 58.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.1 -167.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.7 -26.36 14.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -73.78 57.53 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.632 HG21 ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -107.86 124.45 50.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.411 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.97 -163.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.485 ' CG ' ' HA ' ' A' ' 70' ' ' GLU . 6.0 mtm180 -72.54 106.63 4.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.11 35.8 3.32 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.506 ' HB3' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -99.77 135.34 41.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.98 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 27' ' ' VAL . 2.3 tp -80.45 113.54 18.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.822 HG12 ' HD2' ' A' ' 15' ' ' TYR . 45.0 t -76.55 -45.81 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.461 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 172.72 -175.31 45.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.485 ' C ' ' HH ' ' A' ' 15' ' ' TYR . 8.8 m-20 -100.61 140.22 35.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.913 HD21 ' CG2' ' A' ' 90' ' ' VAL . 6.3 tp -109.27 -60.36 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.519 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -61.78 -26.54 68.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.5 -21.7 22.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.427 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -69.51 -54.43 14.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.801 HD21 HD11 ' A' ' 13' ' ' ILE . 42.4 mt -73.22 -7.41 51.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.41 13.38 83.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.0 mt -84.51 177.13 8.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.752 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.88 155.18 24.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.0 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.993 HD21 ' O ' ' A' ' 63' ' ' SER . 3.0 mm? -44.38 -60.32 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.84 ' O ' HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER -40.98 -56.53 2.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -52.13 -46.97 65.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.898 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -66.81 -27.93 67.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -76.75 -56.21 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.84 HG23 ' O ' ' A' ' 39' ' ' ARG . 61.9 p -49.08 -47.63 44.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 92' ' ' LEU . 17.8 mtm180 -86.33 12.9 9.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' ARG . . . 36.86 91.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.898 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -99.35 125.64 45.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 0.792 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -141.09 158.19 44.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.235 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.686 HG21 ' HB3' ' A' ' 57' ' ' LEU . 8.9 mm -90.27 131.84 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -78.05 157.46 29.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.4 p -76.68 146.09 38.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.961 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.543 ' HE3' HD23 ' A' ' 77' ' ' LEU . 5.1 ttpm? -72.95 155.32 39.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -41.84 -31.82 0.85 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.27 -57.99 2.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -168.5 168.23 11.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -72.74 107.87 5.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.2 mp -114.4 16.65 17.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.686 ' HB3' HG21 ' A' ' 48' ' ' ILE . 30.9 mt -132.46 153.02 51.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -155.6 105.71 2.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -78.24 131.65 37.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.337 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 12.3 pt-20 -98.78 111.17 23.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -72.16 -4.13 27.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.38 -10.37 59.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.993 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -148.0 -50.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.61 58.53 0.6 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -135.02 162.15 33.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 0.788 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.524 ' CD2' HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -96.61 103.48 15.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.683 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.1 mm? -101.84 156.13 17.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.769 HD22 HD11 ' A' ' 72' ' ' LEU . 2.3 mt -90.4 168.29 11.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.505 ' HA ' ' CE ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -91.14 -36.83 13.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.485 ' HA ' ' CG ' ' A' ' 23' ' ' ARG . 4.3 pt-20 -170.13 -177.85 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -55.73 125.53 21.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.838 ' HB3' HD11 ' A' ' 77' ' ' LEU . 1.2 mm? -62.72 152.17 36.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.2 111.04 16.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 78' ' ' CYS . 0.4 OUTLIER -40.67 -54.34 2.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.325 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 76' ' ' GLU . 54.0 mm-40 -57.41 -62.08 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 75' ' ' GLU . 4.3 tt0 -38.81 -55.7 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.838 HD11 ' HB3' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -71.77 -76.36 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 74' ' ' ARG . 25.2 p -158.49 94.08 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 108.324 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.47 107.62 0.46 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 41.34 91.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.762 . . . . 0.0 109.963 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.423 ' CG2' ' N ' ' A' ' 82' ' ' ASN . 1.0 OUTLIER -157.63 163.75 37.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.446 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.478 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 4.7 t30 -153.23 139.01 11.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.3 Cg_endo -74.98 159.47 97.96 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.023 -0.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.5 95.22 5.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 108.272 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 103' ' ' ILE . 76.8 mt -122.53 134.89 64.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -72.17 151.09 43.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.419 ' CE1' ' O ' ' A' ' 85' ' ' ILE . 1.3 m-70 -110.51 112.91 25.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.558 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.463 ' CD2' HG13 ' A' ' 103' ' ' ILE . 4.8 p90 -147.3 174.32 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -153.01 172.07 17.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.913 ' CG2' HD21 ' A' ' 30' ' ' LEU . 19.5 t -122.2 114.07 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.712 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 10.1 tp -90.96 135.74 33.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.415 ' HA ' ' O ' ' A' ' 44' ' ' ARG . 90.1 mt -126.59 146.35 50.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 94' ' ' SER . 5.6 mttm -97.32 175.1 6.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 93' ' ' LYS . 68.4 p -35.31 111.86 0.45 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.1 Cg_endo -75.01 122.55 8.29 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.948 0.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 17.5 t -58.09 132.36 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 98' ' ' PHE . 40.8 tt0 -160.32 148.98 16.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.712 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 19.3 m-85 -127.46 157.98 38.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.945 HG23 HG21 ' A' ' 12' ' ' THR . 4.6 mp -133.81 165.82 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.533 ' O ' HG22 ' A' ' 12' ' ' THR . 5.3 mt-30 -133.4 85.55 2.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -89.21 -170.77 45.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -147.61 158.59 44.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.535 ' O ' HG23 ' A' ' 85' ' ' ILE . 28.7 mt -127.04 107.7 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -97.2 144.63 26.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 tp -83.26 124.52 30.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -39.1 119.73 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -147.62 143.14 27.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.1 t -91.66 135.51 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -102.06 110.32 22.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -141.78 -48.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 59.7 164.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.616 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.14 149.25 97.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.12 19.96 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.503 1.791 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.84 161.3 31.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -140.56 122.75 15.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.89 130.73 50.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -136.02 166.09 24.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -158.26 156.49 30.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.84 168.18 27.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 t -167.04 139.33 3.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -143.4 114.36 0.83 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.67 5.2 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 111.029 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.87 155.45 40.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.975 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.29 167.69 29.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.985 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.2 -58.56 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.0 109.978 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -174.99 170.39 3.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.992 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.93 -172.29 13.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t -170.66 148.23 2.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 110.004 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.64 155.47 14.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.014 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.66 167.36 14.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -171.67 172.61 4.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.31 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.0 167.22 16.36 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.9 m -97.66 -55.26 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 109.997 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.547 ' HB2' ' HG3' ' A' ' 102' ' ' GLU . . . -97.32 130.43 44.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 1.012 HG23 HG13 ' A' ' 13' ' ' ILE . 6.8 t -103.59 -32.18 9.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 1.012 HG13 HG23 ' A' ' 12' ' ' THR . 13.8 mt -129.48 148.83 33.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 p -136.37 116.86 13.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.832 ' HD2' HG12 ' A' ' 27' ' ' VAL . 5.0 m-85 -96.18 156.62 16.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.5 p -122.23 108.66 13.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.677 ' CG2' HG21 ' A' ' 21' ' ' THR . 2.6 p -134.58 129.16 52.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -166.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -95.77 -28.76 14.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.43 59.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.677 HG21 ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -108.82 127.16 53.79 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.108 . . . . 0.0 110.382 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 24' ' ' GLY . 0.6 OUTLIER -138.74 162.37 34.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -37.93 95.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.35 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 117.75 44.24 0.55 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.504 1.127 . . . . 0.0 111.028 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.684 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -118.37 131.54 56.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 0.731 . . . . 0.0 110.001 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.525 HD22 ' ND2' ' A' ' 65' ' ' ASN . 3.6 tp -80.91 111.49 17.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.832 HG12 ' HD2' ' A' ' 15' ' ' TYR . 76.3 t -78.39 -41.02 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.425 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 160.81 166.23 19.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 1.0 OUTLIER -83.1 140.22 32.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.056 HD21 HG22 ' A' ' 90' ' ' VAL . 12.3 tp -101.43 -31.87 10.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.606 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -80.11 -41.15 26.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -72.19 -24.39 61.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.75 -65.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.241 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.746 HD21 ' CD1' ' A' ' 13' ' ' ILE . 10.1 mt -71.5 -7.66 48.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.91 15.62 80.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' ALA . 15.5 mt -80.52 159.85 25.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.794 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.4 m -90.01 143.67 26.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.823 ' O ' HD12 ' A' ' 42' ' ' ILE . 1.0 OUTLIER -40.67 -54.25 2.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 42' ' ' ILE . 1.4 ttt180 -45.24 -58.95 2.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -49.19 -43.22 42.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.842 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -67.75 -26.21 66.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.823 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -82.41 -57.19 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -54.14 -45.57 72.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.443 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -81.45 5.54 17.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 41.5 91.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.842 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -103.27 124.17 48.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.65 ' CD ' HD23 ' A' ' 91' ' ' LEU . 11.5 pt20 -133.69 165.25 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.72 HG21 ' HB3' ' A' ' 57' ' ' LEU . 15.0 mm -100.3 129.92 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 88' ' ' PHE . 16.3 mt -115.15 107.21 15.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 p -135.59 137.48 41.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? 50.38 -177.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.261 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.69 126.54 7.57 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.101 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 44.72 35.13 1.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.95 57.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -77.62 141.26 39.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mp -108.55 19.38 19.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.72 ' HB3' HG21 ' A' ' 48' ' ' ILE . 13.6 mt -136.39 149.01 48.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -155.22 111.01 3.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.521 HD23 ' O ' ' A' ' 46' ' ' ALA . 48.9 tp -78.88 118.87 21.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.613 ' OE1' HD21 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -55.52 -40.26 71.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 65.86 9.18 5.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -106.88 -37.86 6.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.94 9.15 6.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.92 52.72 50.57 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.548 1.155 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.528 ' O ' HD22 ' A' ' 67' ' ' LEU . 46.3 m-20 -131.38 140.28 49.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.623 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -86.41 122.88 30.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.613 HD21 ' OE1' ' A' ' 60' ' ' GLU . 2.3 mm? -110.33 134.84 51.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.925 HD22 HD11 ' A' ' 72' ' ' LEU . 4.3 mt -79.46 148.16 32.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -43.96 72.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -172.13 -176.53 1.67 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.1 ttpt -49.69 123.32 7.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.925 HD11 HD22 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -62.3 120.59 11.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.09 115.02 15.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 78' ' ' CYS . 12.6 ptt180 -52.93 -42.82 65.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.16 -64.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -39.62 -52.63 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.827 HD11 ' HB3' ' A' ' 72' ' ' LEU . 4.7 mt -71.4 -77.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 74' ' ' ARG . 0.8 OUTLIER -162.1 -71.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 108.328 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.28 -47.82 1.07 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.8 -57.99 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.2 m -44.97 155.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.451 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.463 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 0.5 OUTLIER -138.08 157.46 72.89 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.3 Cg_endo -74.99 -171.39 9.32 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.032 -0.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.96 78.62 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 108.311 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.727 HG23 ' O ' ' A' ' 103' ' ' ILE . 86.3 mt -114.27 134.5 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.418 ' HB3' HD12 ' A' ' 103' ' ' ILE . 0.3 OUTLIER -72.1 152.58 42.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -113.44 111.28 21.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.588 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.532 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 6.3 p90 -144.62 173.87 11.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -150.66 149.26 29.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 1.056 HG22 HD21 ' A' ' 30' ' ' LEU . 49.2 t -99.24 112.43 31.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.799 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 8.1 tp -90.5 136.12 33.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 91' ' ' LEU . 75.9 mt -131.45 148.48 52.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 94' ' ' SER . 13.8 mttm -100.06 175.38 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.372 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 93' ' ' LYS . 59.6 p -32.45 109.6 0.31 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.96 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.483 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.02 122.28 8.07 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.969 0.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 24.3 t -63.27 133.06 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -168.77 146.94 3.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.799 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 7.0 m-85 -122.91 158.68 29.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.921 HG23 HG21 ' A' ' 12' ' ' THR . 4.2 mp -129.91 162.7 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.433 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 1.8 mt-30 -117.34 70.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.532 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -76.3 162.13 52.22 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.547 ' HG3' ' HB2' ' A' ' 11' ' ' ALA . 10.0 mm-40 -130.13 165.83 21.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.727 ' O ' HG23 ' A' ' 85' ' ' ILE . 31.9 mt -133.07 117.21 28.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -107.37 144.18 34.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tp -83.35 130.45 35.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.52 165.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.34 169.74 11.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 108' ' ' VAL . 34.1 m -50.82 112.28 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.58 156.39 42.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -109.79 -61.3 1.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -172.17 174.69 3.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.563 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.413 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . . . -117.81 145.01 35.6 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 112' ' ' ALA . 18.3 Cg_endo -74.99 -175.18 2.23 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.502 1.791 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.93 174.58 5.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.22 -14.43 21.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 117' ' ' GLU . 0.3 OUTLIER 55.99 16.81 2.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 116' ' ' MET . 5.7 tt0 -38.83 147.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -171.08 167.35 7.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.91 138.51 23.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.2 p -164.66 134.06 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -169.92 132.06 2.42 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.578 1.174 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 179.95 5.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.517 1.799 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.95 114.91 10.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.3 p -109.94 166.7 10.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.996 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.566 1.166 . . . . 0.0 111.027 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 t -172.08 170.3 5.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.023 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.46 169.02 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.33 150.93 5.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -176.67 145.98 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 109.981 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.35 167.04 1.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.025 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.98 149.78 5.37 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 0.0 111.054 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.2 159.67 23.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.44 168.27 11.41 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.557 1.161 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.2 m -135.7 -48.65 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.98 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.48 ' HB1' ' OE1' ' A' ' 102' ' ' GLU . . . -101.42 129.26 47.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.992 HG23 HG13 ' A' ' 13' ' ' ILE . 5.0 t -106.23 -32.42 8.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.992 HG13 HG23 ' A' ' 12' ' ' THR . 6.8 mt -129.48 147.31 33.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -136.25 116.61 13.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.799 ' HD2' HG12 ' A' ' 27' ' ' VAL . 2.7 m-85 -100.88 168.74 9.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.0 p -130.51 122.46 27.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.962 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.717 HG21 HG21 ' A' ' 21' ' ' THR . 8.9 p -160.45 166.27 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.93 -173.98 5.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.524 ' HB3' HD12 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -98.73 -26.03 14.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -97.71 18.59 15.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.717 HG21 HG21 ' A' ' 17' ' ' VAL . 1.2 m -40.1 125.5 2.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -66.44 167.67 10.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.44 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -81.33 144.26 31.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.32 26.47 74.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.138 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.577 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -97.39 148.77 22.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 0.768 . . . . 0.0 110.043 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 28' ' ' GLY . 1.5 tp -77.34 113.05 14.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.799 HG12 ' HD2' ' A' ' 15' ' ' TYR . 94.6 t -81.29 -39.65 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.519 ' N ' HD12 ' A' ' 26' ' ' LEU . . . 164.88 157.07 9.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' O ' ' OD1' ' A' ' 33' ' ' ASP . 6.2 p30 -79.16 131.52 36.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.783 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.878 HD21 ' CG2' ' A' ' 90' ' ' VAL . 9.8 tp -98.71 -37.85 9.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.511 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -68.35 -55.81 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -38.52 84.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 29' ' ' ASN . 0.1 OUTLIER -46.55 -54.55 9.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.585 HD21 ' CD1' ' A' ' 13' ' ' ILE . 16.2 mt -90.5 22.96 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 48.32 26.0 4.63 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.3 mt -84.41 161.37 20.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 m -98.21 145.22 26.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.878 ' O ' HD12 ' A' ' 42' ' ' ILE . 2.3 mm? -46.84 -52.99 12.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.639 ' O ' HG23 ' A' ' 43' ' ' THR . 1.7 ttp-105 -47.21 -45.85 23.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -63.83 -51.2 65.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.741 HD13 ' HB3' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -59.64 -24.86 64.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.878 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -81.0 -50.58 16.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 39' ' ' ARG . 16.8 p -54.81 -49.89 69.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.362 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 36.1 mtm-85 -77.7 1.59 19.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 41.09 62.81 1.67 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.883 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -73.62 118.98 17.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.761 ' CD ' HD23 ' A' ' 91' ' ' LEU . 6.5 pt20 -124.99 159.8 30.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.325 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.733 HD11 HD22 ' A' ' 30' ' ' LEU . 42.8 mm -95.33 135.96 27.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.9 mt -106.26 106.43 16.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.51 98.84 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 77.62 -175.32 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -144.08 50.71 0.66 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.135 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 176.36 -51.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.753 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.01 72.01 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -41.0 150.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.34 -42.93 2.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.615 HD21 HG21 ' A' ' 27' ' ' VAL . 17.1 mt -107.37 154.54 21.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.03 105.0 2.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.883 HD23 ' O ' ' A' ' 46' ' ' ALA . 11.8 tp -78.87 107.49 11.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.9 OUTLIER -40.92 -51.67 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.613 ' O ' HD11 ' A' ' 42' ' ' ILE . 4.9 tt0 84.82 -10.07 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -93.74 -36.46 12.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.4 -10.47 14.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.629 ' N ' HD11 ' A' ' 38' ' ' LEU . . . 70.24 48.46 38.42 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.554 ' O ' HD22 ' A' ' 67' ' ' LEU . 48.9 m-20 -135.16 149.92 50.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.573 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -84.9 123.2 30.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.554 HD22 ' O ' ' A' ' 65' ' ' ASN . 1.4 mm? -113.54 134.55 54.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.742 HD22 HD21 ' A' ' 72' ' ' LEU . 8.6 mt -80.21 131.7 35.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.47 -61.22 2.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.44 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 3.2 pt-20 -146.24 -174.9 4.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -57.0 120.38 7.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.742 HD21 HD22 ' A' ' 68' ' ' LEU . 1.2 mm? -63.13 152.45 37.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.464 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -105.68 132.55 51.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 78' ' ' CYS . 2.9 mtt180 -65.0 -72.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -45.43 -59.58 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -39.33 -60.45 0.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.572 HD11 ' HB3' ' A' ' 72' ' ' LEU . 10.4 mt -70.52 -78.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.421 ' N ' ' O ' ' A' ' 74' ' ' ARG . 15.0 p -150.46 89.2 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 108.305 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -42.1 -57.43 3.59 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.435 1.084 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.29 69.59 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.962 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.1 m -132.02 159.27 39.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.379 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.488 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 4.9 p-10 -140.44 147.37 49.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.3 Cg_endo -75.0 132.59 28.07 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.045 -2.481 . . . . 0.0 110.999 0.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.462 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.7 t -68.71 96.85 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 108.298 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 82.8 mt -133.29 134.2 57.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.459 ' HG ' HD22 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -72.45 150.29 43.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -109.17 110.7 21.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.581 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.568 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.5 p90 -143.94 166.92 23.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -144.68 158.98 43.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.878 ' CG2' HD21 ' A' ' 30' ' ' LEU . 98.1 t -105.97 105.52 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.781 HD13 ' CE1' ' A' ' 98' ' ' PHE . 6.8 tp -79.71 133.83 36.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.609 HD12 ' HB3' ' A' ' 97' ' ' GLN . 51.5 mt -124.55 146.85 48.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 94' ' ' SER . 10.5 mttm -99.65 173.87 6.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.453 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 28.4 p -35.17 111.63 0.44 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.07 122.45 8.22 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.004 -2.498 . . . . 0.0 111.007 0.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.6 134.86 20.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.609 ' HB3' HD12 ' A' ' 92' ' ' LEU . 2.7 tm0? -163.44 158.22 20.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.781 ' CE1' HD13 ' A' ' 91' ' ' LEU . 97.2 m-85 -139.1 149.04 44.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.924 HG23 HG21 ' A' ' 12' ' ' THR . 3.5 mp -122.99 163.63 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.825 ' O ' HG22 ' A' ' 12' ' ' THR . 5.1 mt-30 -118.99 89.04 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.568 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -88.54 178.83 45.97 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.491 1.12 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.48 ' OE1' ' HB1' ' A' ' 11' ' ' ALA . 40.2 mp0 -146.21 148.69 32.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.744 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.487 HG13 ' CE2' ' A' ' 88' ' ' PHE . 10.7 mt -123.67 98.86 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -74.62 131.35 40.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.337 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.524 HD12 ' HB3' ' A' ' 19' ' ' GLU . 2.3 mm? -83.74 130.8 34.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.45 154.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -149.04 166.82 27.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.3 t -83.04 103.91 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -178.84 144.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 39.4 t0 179.74 143.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.403 ' O ' ' HB3' ' A' ' 112' ' ' ALA . 2.5 t60 -175.96 -62.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.619 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 111' ' ' HIS . . . 66.46 115.01 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 158.99 41.87 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -143.43 153.44 42.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.2 t80 54.26 171.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.968 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.78 163.46 27.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -174.99 146.49 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -122.91 142.21 51.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -178.94 154.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.7 m -169.86 169.68 8.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.028 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -160.41 157.26 28.64 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -178.83 4.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.432 1.754 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 24.4 p -172.59 170.42 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.983 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.1 m -130.35 170.49 14.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.0 p -163.45 164.7 24.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.001 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.11 149.3 25.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.35 -143.57 14.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.565 1.166 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -172.35 154.23 3.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.778 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 m -165.56 168.57 16.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.953 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.72 -126.19 0.97 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 63.11 156.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.32 149.33 16.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.48 173.6 4.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 109.996 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.416 ' HB2' ' HG3' ' A' ' 102' ' ' GLU . . . -48.62 130.01 16.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.948 HG21 HG23 ' A' ' 99' ' ' ILE . 5.0 t -99.39 -32.87 10.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.429 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.891 HG13 HG23 ' A' ' 12' ' ' THR . 16.3 mt -129.67 150.11 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -135.99 117.23 14.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.413 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.835 ' CD2' HG12 ' A' ' 27' ' ' VAL . 5.6 m-85 -100.91 166.54 10.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 p -132.0 117.25 18.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.996 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.578 ' CG2' ' CG2' ' A' ' 21' ' ' THR . 7.9 p -140.25 139.71 35.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.16 -168.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -101.34 -6.28 24.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -93.97 45.38 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.808 ' HB ' HD13 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -84.31 -175.4 5.77 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.8 -164.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.455 ' CA ' ' HA ' ' A' ' 70' ' ' GLU . 6.3 ptt180 -78.57 54.32 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.36 42.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.755 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -115.4 136.84 52.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 27' ' ' VAL . 2.5 tp -83.24 113.07 20.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.835 HG12 ' CD2' ' A' ' 15' ' ' TYR . 42.5 t -82.13 -40.41 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.441 ' N ' HD12 ' A' ' 26' ' ' LEU . . . 164.99 -169.14 39.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 4.6 m120 -107.49 140.45 40.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.68 HD22 HD11 ' A' ' 48' ' ' ILE . 12.1 tp -105.46 -61.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.551 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -54.88 -41.02 70.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.64 -44.86 61.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.543 ' OD2' ' CE1' ' A' ' 15' ' ' TYR . 1.1 m-20 -40.16 -70.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.794 HD21 HD11 ' A' ' 13' ' ' ILE . 9.1 mt -63.18 -25.42 68.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.42 18.54 38.42 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ALA . 79.8 mt -84.37 165.78 17.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 0.747 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 m -93.62 155.49 17.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.998 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.731 HD21 ' O ' ' A' ' 63' ' ' SER . 3.6 mm? -50.83 -59.51 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.6 ' O ' HG23 ' A' ' 43' ' ' THR . 6.5 ttp180 -42.74 -44.95 4.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -62.43 -47.81 82.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.806 HD13 ' HB3' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -63.74 -25.02 68.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.606 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -82.81 -53.39 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.6 HG23 ' O ' ' A' ' 39' ' ' ARG . 22.2 p -56.01 -44.84 79.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.421 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -79.59 -0.68 34.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 43.2 71.37 0.42 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.806 ' HB3' HD13 ' A' ' 41' ' ' LEU . . . -87.76 116.46 25.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.766 ' OE1' HD23 ' A' ' 91' ' ' LEU . 12.9 pt20 -123.84 162.03 24.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.68 HD11 HD22 ' A' ' 30' ' ' LEU . 17.2 mm -94.4 135.59 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 48' ' ' ILE . 16.8 mt -120.57 109.84 15.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.8 m -134.93 129.96 35.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.402 ' NZ ' ' HG2' ' A' ' 76' ' ' GLU . 1.3 mmtm 63.61 135.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -39.52 -63.65 1.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.441 1.088 . . . . 0.0 111.012 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.98 135.21 53.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.1 mttp 74.52 110.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -95.77 145.91 24.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 mp -104.34 18.15 22.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.667 ' HB3' HG21 ' A' ' 48' ' ' ILE . 15.8 mt -132.62 152.3 51.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.71 103.47 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.56 134.52 35.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -91.04 115.23 27.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -84.53 11.5 8.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.49 4.22 50.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.731 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -163.32 -45.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.82 67.84 0.61 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -143.73 152.92 41.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.61 HD23 HD22 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -98.77 104.78 16.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.629 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.3 mm? -101.61 149.37 24.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.808 HD13 ' HB ' ' A' ' 21' ' ' THR . 2.8 mt -86.45 147.23 26.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -53.47 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.455 ' HA ' ' CA ' ' A' ' 23' ' ' ARG . 6.2 pt-20 -166.57 -175.21 3.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -45.34 123.05 3.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.698 ' HB3' HD11 ' A' ' 77' ' ' LEU . 1.5 mm? -73.05 129.08 37.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.603 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -75.01 127.55 33.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 78' ' ' CYS . 53.4 mtt180 -67.09 -54.14 24.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -55.51 -62.42 1.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.402 ' HG2' ' NZ ' ' A' ' 51' ' ' LYS . 3.1 tt0 -38.42 -61.39 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.698 HD11 ' HB3' ' A' ' 72' ' ' LEU . 4.3 mt -65.27 -75.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.403 ' N ' ' O ' ' A' ' 74' ' ' ARG . 0.8 OUTLIER -153.94 -74.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 108.304 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 125.33 -60.86 0.62 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.88 55.43 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.955 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.2 m -129.63 157.31 42.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.499 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 4.7 p-10 -140.45 144.37 36.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.4 Cg_endo -75.02 158.41 99.0 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.987 0.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.93 86.62 2.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 108.321 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 103' ' ' ILE . 93.8 mt -115.98 134.56 58.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.98 152.55 42.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -111.34 110.6 21.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.595 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.478 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.4 p90 -144.0 170.71 15.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.6 mp0 -153.01 145.78 24.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.43 ' CG2' HD21 ' A' ' 30' ' ' LEU . 19.8 t -94.09 127.78 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.766 HD23 ' OE1' ' A' ' 47' ' ' GLN . 7.1 tp -98.68 134.74 41.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.582 ' N ' HD12 ' A' ' 91' ' ' LEU . 92.8 mt -127.92 148.09 50.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 94' ' ' SER . 21.8 mttm -103.15 173.55 6.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.506 ' C ' ' O ' ' A' ' 93' ' ' LYS . 52.2 p -31.37 108.61 0.27 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.03 122.63 8.35 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.008 -2.496 . . . . 0.0 111.007 0.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.401 HG22 ' HA ' ' A' ' 93' ' ' LYS . 24.6 t -64.37 134.39 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -168.8 145.88 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.521 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 8.5 m-85 -117.37 158.6 24.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.948 HG23 HG21 ' A' ' 12' ' ' THR . 4.5 mp -129.23 156.4 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.445 ' O ' HG22 ' A' ' 12' ' ' THR . 8.0 mt-30 -116.63 72.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.478 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -73.81 -178.39 37.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.416 ' HG3' ' HB2' ' A' ' 11' ' ' ALA . 64.2 mm-40 -147.4 158.72 44.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.506 ' O ' HG23 ' A' ' 85' ' ' ILE . 20.8 mt -130.71 108.73 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -91.68 133.0 35.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 106' ' ' GLN . 2.2 mm? -82.08 114.72 20.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 105' ' ' LEU . 1.1 mm-40 -38.65 123.83 1.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.05 100.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.1 t -96.76 101.71 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 174.52 100.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 177.31 118.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -148.68 59.36 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.641 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -171.84 148.16 2.09 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 136.6 20.54 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.478 1.778 . . . . 0.0 111.021 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.94 151.35 24.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -136.8 166.74 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 8.0 tpt -113.24 15.63 19.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -111.92 129.92 56.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 t70 176.71 166.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 61.92 127.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.32 158.08 43.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -40.54 119.18 1.3 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.19 11.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.535 1.808 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.6 m -158.63 150.9 21.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.6 t -146.27 168.58 20.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.34 107.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 110.025 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.83 138.48 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.973 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.1 102.16 0.54 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.117 . . . . 0.0 110.982 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.13 124.32 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.954 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.11 157.12 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.74 173.74 16.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 64.72 124.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.28 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.99 152.65 9.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.05 -56.7 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.25 130.59 8.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.984 HG23 HG13 ' A' ' 13' ' ' ILE . 6.7 t -103.07 -32.11 9.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.385 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.984 HG13 HG23 ' A' ' 12' ' ' THR . 12.0 mt -132.11 149.67 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.4 p -135.81 117.53 15.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.823 ' HD2' HG12 ' A' ' 27' ' ' VAL . 5.6 m-85 -98.09 165.27 11.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 p -132.47 107.26 8.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.632 ' CG2' HG21 ' A' ' 21' ' ' THR . 2.8 p -130.8 129.33 63.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.91 -157.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.737 ' OE1' HD11 ' A' ' 105' ' ' LEU . 1.1 pm0 -111.62 -24.73 9.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.29 54.57 2.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.632 HG21 ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -95.43 127.51 41.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.18 -163.66 0.94 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' CG ' ' HA ' ' A' ' 70' ' ' GLU . 24.0 mtm180 -73.71 108.32 6.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.47 52.59 1.31 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.572 ' CB ' HD12 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -114.28 132.68 56.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 0.809 . . . . 0.0 109.983 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' ' 27' ' ' VAL . 2.2 tp -75.65 113.92 13.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.823 HG12 ' HD2' ' A' ' 15' ' ' TYR . 41.6 t -80.67 -41.51 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.506 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 170.2 -173.69 44.22 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.408 ' O ' ' OH ' ' A' ' 15' ' ' TYR . 5.6 m-80 -102.0 144.44 30.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.753 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.644 HD21 HG22 ' A' ' 90' ' ' VAL . 11.9 tp -116.98 -55.51 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.594 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -66.2 -23.7 66.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -93.89 -23.62 18.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.49 -48.79 63.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.75 HD21 ' CD1' ' A' ' 13' ' ' ILE . 12.9 mt -86.76 11.76 12.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 55.25 22.84 31.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.0 mt -82.35 175.85 9.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.81 148.18 32.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.666 HD21 ' O ' ' A' ' 63' ' ' SER . 1.4 mm? -45.93 -64.48 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -40.39 -45.56 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 110.274 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -61.98 -49.26 76.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.613 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -62.33 -23.86 67.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 109.284 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.1 mp -84.75 -56.35 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.5 p -55.8 -38.18 69.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.344 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -82.84 3.42 29.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 41.29 75.72 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.763 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -96.0 125.2 40.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.668 ' CD ' HD23 ' A' ' 91' ' ' LEU . 11.5 pt20 -133.23 158.74 42.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.707 HG21 ' HB3' ' A' ' 57' ' ' LEU . 25.9 mm -93.19 136.88 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.1 mt -115.85 108.62 16.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 m -132.39 110.11 10.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.983 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 73.39 -70.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.53 -123.49 1.38 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -44.59 -49.48 10.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.6 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 76.42 114.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.87 4.06 19.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.707 ' HB3' HG21 ' A' ' 48' ' ' ILE . 15.5 mt -133.19 155.66 48.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.62 112.04 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.763 HD23 ' O ' ' A' ' 46' ' ' ALA . 3.7 tp -78.83 111.06 14.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.4 OUTLIER -38.11 -56.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.638 ' O ' HD12 ' A' ' 38' ' ' LEU . 0.8 OUTLIER 85.59 -46.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -8.67 57.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.666 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -126.24 -44.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.25 39.74 3.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.426 ' O ' HD22 ' A' ' 67' ' ' LEU . 89.2 m-20 -126.33 155.77 41.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 0.726 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.494 HD13 ' CZ ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -93.3 104.8 16.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.488 ' CD2' ' HB2' ' A' ' 60' ' ' GLU . 2.0 mm? -100.69 154.56 18.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.688 HD22 HD11 ' A' ' 72' ' ' LEU . 5.1 mt -87.59 177.02 7.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.79 -40.04 6.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.454 ' HA ' ' CG ' ' A' ' 23' ' ' ARG . 2.4 pt-20 -167.07 -177.87 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -57.96 124.24 18.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.754 ' HB3' HD11 ' A' ' 77' ' ' LEU . 1.0 OUTLIER -63.05 134.69 56.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.33 114.53 27.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 78' ' ' CYS . 7.6 ptp180 -52.49 -51.56 58.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -57.12 -64.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.331 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -38.85 -53.31 1.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.754 HD11 ' HB3' ' A' ' 72' ' ' LEU . 2.3 mt -69.1 -74.51 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 74' ' ' ARG . 0.8 OUTLIER -160.52 -71.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 108.293 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 108.71 -54.42 0.55 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.536 1.148 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.4 m -126.85 -47.56 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 110.002 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.8 m -44.9 150.07 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.363 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.49 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 2.3 p30 -130.57 153.88 81.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.364 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.4 Cg_endo -74.98 -171.26 9.13 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.048 -0.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.09 56.17 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.315 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.445 HG23 ' H ' ' A' ' 103' ' ' ILE . 95.8 mt -96.69 135.69 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.442 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -73.32 152.99 40.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -112.87 114.33 26.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.603 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.504 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 5.7 p90 -147.06 169.2 19.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -152.05 143.68 23.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.644 HG22 HD21 ' A' ' 30' ' ' LEU . 38.1 t -91.82 108.04 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.767 HD13 ' CE1' ' A' ' 98' ' ' PHE . 7.2 tp -86.3 136.73 33.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 91' ' ' LEU . 61.6 mt -127.92 147.59 50.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 94' ' ' SER . 9.4 mttt -97.72 174.71 6.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 93' ' ' LYS . 26.3 p -34.67 111.57 0.42 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.4 Cg_endo -74.97 123.18 8.82 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.008 -0.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 24.7 t -57.6 126.48 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -152.19 154.23 35.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.767 ' CE1' HD13 ' A' ' 91' ' ' LEU . 80.4 m-85 -136.86 158.08 45.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.93 HG23 HG21 ' A' ' 12' ' ' THR . 4.1 mp -134.11 163.42 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.647 ' O ' HG22 ' A' ' 12' ' ' THR . 5.9 mt-30 -124.99 85.25 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.504 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -87.8 -173.69 47.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -147.59 158.21 43.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.767 . . . . 0.0 110.283 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.445 ' H ' HG23 ' A' ' 85' ' ' ILE . 13.6 mt -129.26 107.47 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -96.48 146.2 25.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.737 HD11 ' OE1' ' A' ' 19' ' ' GLU . 3.1 tp -93.32 149.74 21.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.452 ' H ' HD12 ' A' ' 105' ' ' LEU . 15.1 mm-40 -68.09 75.29 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.543 ' OD2' HD23 ' A' ' 105' ' ' LEU . 21.7 m-20 -108.52 55.56 0.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 108' ' ' VAL . 25.0 m -51.03 95.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 107' ' ' ASP . 7.2 m-20 175.81 88.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 173.03 93.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 52.31 175.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.647 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.04 151.21 38.12 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 133.55 16.76 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.59 165.71 27.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -159.42 173.08 16.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.6 ttm -162.78 170.79 17.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.75 158.17 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.62 167.95 22.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -141.89 170.68 15.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 90.3 p -126.6 170.36 12.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -141.17 156.97 25.87 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -177.88 3.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.806 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 41.3 t -170.89 146.5 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.028 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.3 p -100.71 171.15 7.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.5 m -151.94 125.89 9.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 109.975 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.22 124.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.975 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.3 96.06 2.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.9 p -105.87 161.29 14.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.957 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.49 102.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.48 118.67 4.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 65.87 139.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.76 120.55 0.54 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.6 m -95.45 166.64 11.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 65.96 131.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 1.038 HG23 HG13 ' A' ' 13' ' ' ILE . 6.8 t -106.47 -32.09 8.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.421 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 1.038 HG13 HG23 ' A' ' 12' ' ' THR . 17.3 mt -125.49 149.45 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -136.54 117.38 14.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.814 ' HD2' HG12 ' A' ' 27' ' ' VAL . 4.5 m-85 -96.74 159.05 15.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 p -127.11 106.92 9.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.669 ' CG2' HG21 ' A' ' 21' ' ' THR . 2.5 p -131.33 129.15 62.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.76 -164.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -98.36 -28.78 13.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.88 57.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.669 HG21 ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -104.52 123.62 47.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.365 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.85 179.79 4.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.509 ' CG ' ' HA ' ' A' ' 70' ' ' GLU . 0.9 OUTLIER -60.66 100.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.37 34.48 1.93 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.713 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -98.1 137.97 36.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 109.982 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 27' ' ' VAL . 2.0 tp -81.16 114.75 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.814 HG12 ' HD2' ' A' ' 15' ' ' TYR . 95.0 t -86.91 -37.55 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.494 ' N ' HD12 ' A' ' 26' ' ' LEU . . . 159.79 170.99 25.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 0.9 OUTLIER -96.08 137.48 35.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.741 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.946 HD21 HG22 ' A' ' 90' ' ' VAL . 8.2 tp -93.56 -44.78 8.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.614 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -66.82 -40.82 88.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.31 -31.71 65.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -66.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.762 HD21 ' CD1' ' A' ' 13' ' ' ILE . 8.4 mt -69.86 -8.22 46.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.74 16.95 80.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' ALA . 15.2 mt -74.42 169.05 18.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' LEU . 8.3 t -99.36 139.67 34.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.97 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.991 HD21 ' O ' ' A' ' 63' ' ' SER . 2.9 mm? -40.15 -56.48 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.65 -48.37 5.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -60.7 -51.63 68.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 1.088 HD13 ' HB3' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -59.43 -25.56 64.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.351 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.1 mp -80.49 -54.15 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 p -53.94 -54.3 40.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.402 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -76.25 -1.29 25.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 41.55 74.44 0.17 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.088 ' HB3' HD13 ' A' ' 41' ' ' LEU . . . -84.09 117.72 23.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.711 ' CD ' HD23 ' A' ' 91' ' ' LEU . 7.0 pt20 -118.24 170.33 8.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.848 HG21 ' HB3' ' A' ' 57' ' ' LEU . 17.0 mm -101.5 134.68 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.4 mt -119.71 111.38 17.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.1 m -135.22 123.32 22.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.27 169.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.72 73.91 0.34 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -177.7 -54.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.13 95.5 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -50.28 128.12 18.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.414 ' HA ' ' CB ' ' A' ' 69' ' ' LYS . 3.3 mp -94.95 16.39 16.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.848 ' HB3' HG21 ' A' ' 48' ' ' ILE . 10.2 mt -140.74 138.99 34.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -141.64 104.59 4.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 46' ' ' ALA . 20.5 tp -80.38 96.89 6.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.813 ' HG2' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -35.8 -49.32 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.24 3.83 4.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.461 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -86.3 -19.43 29.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.991 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -143.06 -46.25 0.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 110.001 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.05 60.17 0.14 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.499 1.125 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.519 ' O ' HD22 ' A' ' 67' ' ' LEU . 98.4 m-20 -143.26 139.92 30.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.794 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -88.1 125.08 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.813 HD21 ' HG2' ' A' ' 60' ' ' GLU . 1.6 mm? -114.53 132.52 56.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.922 HD22 HD11 ' A' ' 72' ' ' LEU . 4.3 mt -73.66 142.33 46.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.414 ' CB ' ' HA ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -65.33 -49.51 69.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.509 ' HA ' ' CG ' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -151.39 -175.34 5.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.307 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -66.66 117.59 9.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.922 HD11 HD22 ' A' ' 68' ' ' LEU . 1.1 mm? -51.75 132.35 31.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.98 137.32 37.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 78' ' ' CYS . 0.8 OUTLIER -63.5 -62.93 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -47.09 -58.02 4.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -41.26 -63.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.655 HD11 ' HB3' ' A' ' 72' ' ' LEU . 3.9 mt -66.29 -77.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 74' ' ' ARG . 1.3 p -151.12 -64.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 108.259 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 99.62 -46.07 1.46 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.47 -50.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 110.013 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.1 m -44.12 163.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.167 . . . . 0.0 110.396 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.475 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 0.7 OUTLIER -143.57 156.24 60.06 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.475 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.4 Cg_endo -75.02 -172.35 10.65 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.971 -2.512 . . . . 0.0 111.001 -0.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.49 66.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 108.301 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.755 HG23 ' O ' ' A' ' 103' ' ' ILE . 73.2 mt -109.77 131.25 61.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.466 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -71.68 142.05 49.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -106.55 113.97 27.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.631 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.551 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 6.8 p90 -143.69 173.37 11.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -153.64 143.8 22.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.946 HG22 HD21 ' A' ' 30' ' ' LEU . 76.8 t -89.15 126.21 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.711 HD23 ' CD ' ' A' ' 47' ' ' GLN . 7.8 tp -98.62 133.58 42.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.594 ' N ' HD12 ' A' ' 91' ' ' LEU . 41.3 mt -123.14 144.36 49.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 94' ' ' SER . 7.7 mttt -98.01 174.34 6.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.45 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 21.8 p -35.02 111.34 0.42 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.01 122.65 8.36 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 121.041 -2.483 . . . . 0.0 110.974 0.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 23.3 t -55.61 127.27 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.594 ' HB3' HD12 ' A' ' 92' ' ' LEU . 1.2 tm0? -150.82 161.62 42.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.787 ' C ' HD12 ' A' ' 99' ' ' ILE . 84.1 m-85 -141.89 154.31 45.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.895 HG23 HG21 ' A' ' 12' ' ' THR . 3.9 mp -133.83 150.09 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.931 ' O ' HG22 ' A' ' 12' ' ' THR . 3.1 pt20 -105.57 90.61 3.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.551 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -96.34 167.09 24.65 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 13' ' ' ILE . 60.9 mm-40 -136.31 160.94 37.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.755 ' O ' HG23 ' A' ' 85' ' ' ILE . 25.6 mt -128.98 112.84 26.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -103.93 146.62 28.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.0 tp -90.62 130.53 36.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -47.95 166.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -77.06 130.52 37.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.1 t -89.98 109.32 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -171.68 114.5 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -53.86 -55.79 23.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.225 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.3 m170 60.64 82.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.583 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.93 151.92 0.32 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 163.18 35.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.468 1.773 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.0 139.46 4.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -141.39 100.65 3.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.02 121.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.74 144.1 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.254 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 178.58 164.2 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -113.53 161.79 16.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.1 164.64 11.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.952 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -98.85 145.8 17.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -174.31 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 26.9 m 60.41 149.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.022 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -175.02 -58.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t 65.04 157.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.84 165.82 25.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.001 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.65 -175.66 39.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.51 158.66 7.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 110.005 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -106.27 -58.4 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.07 132.29 4.79 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.437 1.085 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.9 165.93 11.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 0.736 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.18 172.75 16.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.73 -59.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 109.987 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.04 129.69 45.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 1.024 HG23 HG13 ' A' ' 13' ' ' ILE . 5.9 t -102.55 -32.13 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.402 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 1.024 HG13 HG23 ' A' ' 12' ' ' THR . 10.3 mt -129.24 150.05 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 p -136.13 117.91 15.09 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.501 1.125 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.84 ' HD2' HG12 ' A' ' 27' ' ' VAL . 3.9 m-85 -99.83 169.47 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.3 p -132.41 121.6 23.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.462 HG12 HG23 ' A' ' 103' ' ' ILE . 11.6 p -151.88 144.8 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.77 -164.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.48 -27.44 10.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -94.03 54.19 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.676 ' CG2' HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -90.09 130.48 36.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.377 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -119.74 161.54 20.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -46.45 129.35 10.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.02 37.89 5.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.421 ' CB ' HD12 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -122.72 131.96 54.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 0.0 110.026 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.527 HD12 ' H ' ' A' ' 28' ' ' GLY . 2.5 tp -76.33 111.98 12.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.84 HG12 ' HD2' ' A' ' 15' ' ' TYR . 62.8 t -81.27 -37.76 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.568 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 164.56 179.53 38.71 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.451 ' OD1' ' ND2' ' A' ' 65' ' ' ASN . 16.0 m-80 -103.15 140.06 37.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.784 HD21 HG21 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -111.15 -36.38 5.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.492 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -72.56 -37.78 68.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -78.6 -45.84 20.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -40.98 -69.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.722 HD21 ' CD1' ' A' ' 13' ' ' ILE . 7.4 mt -63.37 -22.17 66.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.12 14.57 60.33 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' ALA . 31.8 mt -80.52 143.05 33.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.47 149.1 42.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.95 HD21 ' O ' ' A' ' 63' ' ' SER . 1.4 mm? -42.98 -60.64 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -38.44 -57.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.098 . . . . 0.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -49.73 -55.55 13.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.651 HD13 ' HB3' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -54.72 -29.37 53.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -78.84 -60.62 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.3 p -53.78 -49.83 67.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.436 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.0 mtp85 -70.1 -7.44 41.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 46.11 96.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.944 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -111.05 135.74 51.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.764 ' CD ' HD23 ' A' ' 91' ' ' LEU . 4.3 pt20 -138.72 165.71 26.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.563 HG21 ' HB3' ' A' ' 57' ' ' LEU . 12.8 mm -100.45 130.57 49.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.482 HD21 ' OE1' ' A' ' 47' ' ' GLN . 13.4 mt -109.27 105.74 15.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.41 ' OG ' HD21 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -137.16 128.55 28.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.662 ' HE3' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 61.32 153.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.02 -69.25 1.33 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.509 1.13 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -109.23 164.1 12.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 41.19 86.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -64.39 171.47 3.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.662 HD11 ' HE3' ' A' ' 51' ' ' LYS . 3.7 mp -119.58 6.39 11.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.803 HD23 ' HA ' ' A' ' 68' ' ' LEU . 16.9 mt -134.31 159.29 41.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.1 tt0 -155.53 112.44 3.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.944 HD23 ' O ' ' A' ' 46' ' ' ALA . 11.3 tp -81.59 108.49 15.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 2.6 mt-10 -38.64 -56.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.469 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER 84.33 -48.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.36 -15.95 63.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.95 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -120.86 -49.6 2.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.08 42.04 1.58 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.435 1.085 . . . . 0.0 111.027 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.491 ' O ' HD22 ' A' ' 67' ' ' LEU . 20.7 m120 -131.01 150.93 51.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.667 HD11 HD13 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -90.76 104.67 17.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.596 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.7 mm? -103.28 134.62 46.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.803 ' HA ' HD23 ' A' ' 57' ' ' LEU . 3.7 mt -65.48 -175.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.07 -51.88 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -146.43 -173.44 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -72.24 119.16 16.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.519 ' N ' HD13 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -61.26 128.65 37.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.23 87.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -43.68 -57.25 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -53.98 -66.33 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -39.98 -70.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.0 mt -57.02 -79.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.4 p -171.8 -64.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 108.3 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 43.12 50.61 6.28 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.1 -66.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.015 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.5 m -67.34 162.41 22.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.488 ' CB ' ' HA ' ' A' ' 83' ' ' PRO . 7.6 m-20 -111.57 161.0 27.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 18.3 Cg_endo -75.05 -39.7 1.39 Allowed 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.024 -2.49 . . . . 0.0 110.951 0.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 0.7 OUTLIER 83.84 86.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 108.264 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.473 HG23 ' O ' ' A' ' 103' ' ' ILE . 97.1 mt -128.71 128.64 67.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.804 HD23 ' N ' ' A' ' 87' ' ' HIS . 6.0 tt -71.81 138.8 48.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.804 ' N ' HD23 ' A' ' 86' ' ' LEU . 6.5 m-70 -97.84 117.0 31.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.573 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.578 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.3 p90 -147.52 168.94 20.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -150.99 149.27 29.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.784 HG21 HD21 ' A' ' 30' ' ' LEU . 47.2 t -92.41 113.01 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.764 HD23 ' CD ' ' A' ' 47' ' ' GLN . 7.4 tp -88.06 134.21 33.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.576 ' N ' HD12 ' A' ' 91' ' ' LEU . 44.5 mt -123.8 148.39 46.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 94' ' ' SER . 0.0 OUTLIER -98.11 174.52 6.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 93' ' ' LYS . 14.0 p -35.22 111.85 0.44 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.416 ' C ' ' O ' ' A' ' 93' ' ' LYS . 18.3 Cg_endo -74.99 122.15 7.96 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.984 -0.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 40.8 t -56.27 128.42 16.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.754 ' OE1' HD11 ' A' ' 99' ' ' ILE . 6.6 tm0? -151.35 162.38 41.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.628 ' CE1' HD13 ' A' ' 91' ' ' LEU . 86.4 m-85 -142.68 151.72 41.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.905 HG23 HG21 ' A' ' 12' ' ' THR . 4.4 mp -131.24 156.5 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.918 ' O ' HG22 ' A' ' 12' ' ' THR . 3.4 pt20 -110.83 93.49 4.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.578 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -93.85 179.23 38.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -149.77 157.79 43.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 85' ' ' ILE . 14.2 mt -128.78 105.67 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -85.49 142.92 28.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 84' ' ' CYS . 0.4 OUTLIER -78.77 120.7 23.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.39 108.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.93 126.5 33.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.7 p -43.0 130.76 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -169.93 114.94 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -98.18 137.79 36.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -172.25 169.59 5.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.624 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.16 145.49 30.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.5 12.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.799 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.16 127.0 55.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -82.71 168.73 16.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.1 mtt -69.51 163.94 24.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.053 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -171.1 138.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.91 153.41 29.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.12 139.88 53.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.4 m -122.66 96.58 5.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -76.4 149.13 36.63 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.142 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 164.71 32.79 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 40.7 p -109.24 158.84 17.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.98 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 53.8 p -125.83 153.82 43.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 0.0 110.038 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.31 144.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.01 171.86 16.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.89 -167.2 12.43 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.459 1.1 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.23 149.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 0.728 . . . . 0.0 109.975 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -172.33 155.38 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.74 153.15 6.96 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -177.84 164.02 1.88 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 0.786 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.42 147.73 4.78 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -162.62 175.83 10.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.782 . . . . 0.0 109.972 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.7 129.29 19.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 1.01 HG23 HG13 ' A' ' 13' ' ' ILE . 5.1 t -95.82 -32.67 12.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 1.01 HG13 HG23 ' A' ' 12' ' ' THR . 7.8 mt -133.79 149.45 30.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -134.2 116.67 15.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.826 ' HD2' HG12 ' A' ' 27' ' ' VAL . 3.7 m-85 -95.13 160.4 14.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 p -132.11 105.24 7.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.645 HG21 HG21 ' A' ' 21' ' ' THR . 2.9 p -127.79 138.37 54.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.503 ' CB ' ' OE2' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -72.17 -169.49 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -99.57 -8.66 24.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.503 ' OE2' ' CB ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -88.65 43.33 1.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.645 HG21 HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -93.03 125.51 37.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.397 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.14 178.99 4.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.506 ' CG ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -57.23 102.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.84 46.72 1.45 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.645 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -109.22 141.8 40.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 0.0 109.993 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.497 HD12 ' H ' ' A' ' 28' ' ' GLY . 3.1 tp -82.64 111.59 18.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.826 HG12 ' HD2' ' A' ' 15' ' ' TYR . 57.7 t -78.93 -39.06 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.497 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 164.32 177.2 36.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -91.97 141.19 28.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.79 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.864 HD21 ' CG2' ' A' ' 90' ' ' VAL . 6.1 tp -108.04 -54.53 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.481 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -61.78 -44.02 97.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -73.34 -24.5 60.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.558 ' OD2' HG21 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -61.12 -52.85 63.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.881 HD21 HD11 ' A' ' 13' ' ' ILE . 55.1 mt -83.72 5.52 24.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.68 15.33 68.6 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.433 1.083 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' ALA . 77.3 mt -82.78 172.87 12.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.1 m -110.16 154.22 23.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.752 ' O ' HD12 ' A' ' 42' ' ' ILE . 1.4 mm? -47.21 -64.46 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.1 ttp-105 -38.47 -52.72 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -56.6 -51.82 67.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.703 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -60.51 -26.0 66.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.752 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.1 mp -79.77 -52.59 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 p -54.9 -43.03 72.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.158 . . . . 0.0 110.405 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -85.35 9.63 14.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 40.15 90.59 0.01 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.797 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -101.11 128.65 47.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.52 ' CG ' HD23 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -142.33 159.93 41.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.915 HG21 ' HB3' ' A' ' 57' ' ' LEU . 7.6 mm -92.83 132.16 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.543 HD21 ' CB ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -79.57 166.32 22.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.1 m -76.37 149.63 36.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.74 66.19 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.01 -59.11 2.06 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -135.51 -63.35 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 0.781 . . . . 0.0 109.354 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.79 162.74 22.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.526 ' C ' HD12 ' A' ' 56' ' ' LEU . 10.9 tt0 -115.13 113.98 24.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 56' ' ' LEU . 5.3 mp -111.18 18.72 19.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.915 ' HB3' HG21 ' A' ' 48' ' ' ILE . 13.0 mt -137.36 149.18 46.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.6 119.37 4.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.797 HD23 ' O ' ' A' ' 46' ' ' ALA . 10.3 tp -84.13 121.99 28.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 1.4 mm-40 -50.78 -55.44 16.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 4.2 tt0 89.34 -27.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.335 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.467 ' CG ' ' OE2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -96.21 -13.11 23.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.655 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -119.12 -40.45 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.042 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.37 41.78 5.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.555 1.16 . . . . 0.0 110.976 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.483 ' O ' HD12 ' A' ' 59' ' ' LEU . 40.5 m-20 -129.92 162.0 29.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.626 ' CD2' HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -95.82 107.68 19.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.616 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.5 mm? -102.35 150.78 22.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.875 HD22 HD11 ' A' ' 72' ' ' LEU . 4.3 mt -89.15 164.46 15.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -47.42 8.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.506 ' HA ' ' CG ' ' A' ' 23' ' ' ARG . 3.5 pt-20 -159.22 -174.47 4.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.34 122.01 12.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.887 ' HB3' HD11 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -57.62 146.5 30.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.605 ' O ' HD12 ' A' ' 77' ' ' LEU . 2.3 t0 -104.57 131.47 51.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 78' ' ' CYS . 11.1 mtm180 -63.05 -51.14 67.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 76' ' ' GLU . 1.5 mt-10 -55.3 -66.58 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.35 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 75' ' ' GLU . 2.8 tt0 -38.86 -60.54 0.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.887 HD11 ' HB3' ' A' ' 72' ' ' LEU . 4.3 mt -62.87 -76.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 74' ' ' ARG . 1.6 p -162.69 -62.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 108.287 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.3 -50.13 2.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.56 -45.57 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 0.726 . . . . 0.0 109.996 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 97.8 m -57.9 149.36 22.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.505 ' CB ' ' HA ' ' A' ' 83' ' ' PRO . 6.1 m-20 -127.3 161.66 53.05 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.505 ' HA ' ' CB ' ' A' ' 82' ' ' ASN . 18.5 Cg_endo -74.97 173.75 56.24 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.058 -0.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.55 71.01 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.341 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.403 HG23 ' H ' ' A' ' 103' ' ' ILE . 61.4 mt -114.5 135.09 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.597 ' HB3' HD12 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -73.58 153.32 40.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.404 ' CD2' ' N ' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -112.43 117.16 31.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.614 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -151.0 173.71 13.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -154.79 167.01 31.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.864 ' CG2' HD21 ' A' ' 30' ' ' LEU . 24.6 t -118.19 112.94 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.761 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 5.2 tp -93.74 135.99 34.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.489 HD12 ' NE2' ' A' ' 97' ' ' GLN . 89.8 mt -124.43 149.44 46.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 94' ' ' SER . 5.2 mttm -98.07 174.63 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 93' ' ' LYS . 24.7 p -35.47 111.77 0.46 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.429 ' C ' ' O ' ' A' ' 93' ' ' LYS . 18.5 Cg_endo -75.0 122.25 8.05 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.943 -2.524 . . . . 0.0 111.02 0.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 19.1 t -55.58 137.5 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.489 ' NE2' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -159.57 160.01 33.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.761 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 35.9 m-85 -142.44 155.28 45.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.936 HG23 HG21 ' A' ' 12' ' ' THR . 4.9 mp -136.47 166.13 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.615 ' O ' HG22 ' A' ' 12' ' ' THR . 5.4 mt-30 -136.54 92.58 2.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.08 -169.16 36.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -146.4 156.62 43.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.597 HD12 ' HB3' ' A' ' 86' ' ' LEU . 30.3 mt -123.68 106.25 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -90.98 132.63 35.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -85.97 119.71 26.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -46.86 131.05 12.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -55.24 139.11 43.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 p -40.27 152.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -113.34 134.64 54.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -178.95 138.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -120.55 115.93 24.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.572 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -172.06 123.02 0.49 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 154.15 42.26 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.454 ' O ' ' CG ' ' A' ' 114' ' ' GLU . 1.6 pt-20 -118.58 75.65 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.499 ' O ' ' CG ' ' A' ' 115' ' ' PHE . 24.0 p90 -43.98 117.96 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.02 126.01 46.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -80.67 140.08 35.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -170.12 132.76 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -156.7 142.66 17.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 59.8 p -157.01 118.84 3.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -138.6 122.6 2.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 170.11 21.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.4 m -139.99 -58.28 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.8 m -52.84 156.5 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.957 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.028 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.2 p -166.34 129.59 2.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 0.744 . . . . 0.0 110.039 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.52 170.15 22.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.14 -161.45 10.26 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.16 -58.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 0.0 109.966 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.73 159.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.82 -83.38 0.06 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 65.45 161.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 47.44 -140.17 8.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 70.84 173.66 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 0.0 109.964 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -46.8 130.01 11.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 1.005 HG23 HG13 ' A' ' 13' ' ' ILE . 5.8 t -102.95 -32.54 9.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.444 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 1.005 HG13 HG23 ' A' ' 12' ' ' THR . 11.2 mt -130.91 152.41 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p -134.76 116.79 15.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.425 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.89 ' CD2' HG12 ' A' ' 27' ' ' VAL . 5.1 m-85 -99.41 157.94 16.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.0 p -132.44 106.6 7.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.514 ' CG2' HG21 ' A' ' 21' ' ' THR . 3.9 p -126.9 133.02 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.71 -169.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.87 -27.51 16.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.426 ' O ' ' CG ' ' A' ' 20' ' ' GLU . 4.8 pt-20 -74.46 61.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.601 ' HB ' HD13 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -102.78 -179.19 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.434 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 168.05 -161.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' CA ' ' HA ' ' A' ' 70' ' ' GLU . 0.3 OUTLIER -78.69 58.65 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.09 42.65 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.507 1.13 . . . . 0.0 111.036 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.634 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -119.0 136.38 54.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.775 . . . . 0.0 109.978 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.49 HD12 ' H ' ' A' ' 28' ' ' GLY . 3.3 tp -84.9 112.69 20.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.89 HG12 ' CD2' ' A' ' 15' ' ' TYR . 75.0 t -76.98 -40.53 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.49 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 164.77 -161.34 34.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.405 ' C ' ' OH ' ' A' ' 15' ' ' TYR . 8.0 m120 -107.93 142.77 37.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.653 HD21 HG22 ' A' ' 90' ' ' VAL . 6.1 tp -109.3 -53.27 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.616 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -77.05 -41.85 40.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -18.43 64.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.82 -73.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.417 HD21 ' CD1' ' A' ' 13' ' ' ILE . 3.9 mm? -62.29 -16.36 53.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.52 15.93 48.26 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.478 HD22 HH22 ' A' ' 44' ' ' ARG . 24.1 mt -83.74 156.85 22.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.8 157.68 16.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.971 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.705 ' O ' HD12 ' A' ' 42' ' ' ILE . 3.0 mm? -49.34 -61.28 2.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.838 ' O ' HG23 ' A' ' 43' ' ' THR . 4.2 ttp180 -38.66 -57.86 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.21 -48.05 65.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.616 ' HG ' ' HB2' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -66.27 -24.32 66.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.705 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -80.05 -53.86 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.838 HG23 ' O ' ' A' ' 39' ' ' ARG . 66.5 p -48.66 -46.13 39.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.478 HH22 HD22 ' A' ' 36' ' ' LEU . 35.0 mtm180 -85.9 12.51 9.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.87 88.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.764 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -94.98 124.73 39.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.605 ' CG ' HD23 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -138.28 159.36 42.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.256 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.807 HG21 ' HB3' ' A' ' 57' ' ' LEU . 10.5 mm -92.36 131.22 40.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.565 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -77.33 156.82 31.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.0 t -78.88 152.92 30.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.488 ' HZ3' HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -63.95 -70.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.91 -45.46 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -98.6 -61.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.4 160.51 36.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -86.2 132.11 34.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.256 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.458 ' CD1' ' HD3' ' A' ' 51' ' ' LYS . 1.3 mp -122.02 20.05 10.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.807 ' HB3' HG21 ' A' ' 48' ' ' ILE . 16.0 mt -138.64 151.58 47.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.6 tt0 -155.24 116.7 4.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 46' ' ' ALA . 14.4 tp -88.21 101.53 13.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.8 OUTLIER -38.29 -56.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.615 ' O ' HD12 ' A' ' 38' ' ' LEU . 2.3 tt0 86.33 -13.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.05 -30.38 15.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.422 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -112.65 -28.0 7.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.048 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.01 43.39 6.36 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.5 ' O ' HD22 ' A' ' 67' ' ' LEU . 30.4 m-20 -127.24 152.48 47.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.776 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.673 HD23 HD22 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -90.74 106.99 18.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.5 HD22 ' O ' ' A' ' 65' ' ' ASN . 2.3 mm? -103.63 151.43 22.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.634 HD12 ' HB3' ' A' ' 25' ' ' SER . 2.2 mt -88.18 162.97 16.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.422 ' CB ' ' HA ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -78.67 -48.31 15.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.454 ' HA ' ' CA ' ' A' ' 23' ' ' ARG . 5.9 pt-20 -173.51 -174.83 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -42.69 119.07 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.869 ' HB3' HD11 ' A' ' 77' ' ' LEU . 1.5 mm? -66.43 124.08 21.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -78.05 125.62 29.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -79.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -38.91 -55.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.32 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -41.05 -47.75 3.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.869 HD11 ' HB3' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -81.22 -74.7 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -149.76 -75.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 108.316 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . 103.6 80.54 1.44 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 0.2 OUTLIER 82.03 -56.34 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 110.006 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.9 m -44.98 155.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.465 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 0.8 OUTLIER -131.31 158.52 75.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.2 Cg_endo -75.08 -174.63 14.5 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.959 -2.517 . . . . 0.0 110.985 0.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.15 70.99 1.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 108.276 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.473 HG23 ' H ' ' A' ' 103' ' ' ILE . 88.9 mt -113.41 122.91 68.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.776 HD23 ' N ' ' A' ' 87' ' ' HIS . 3.0 tt -72.4 128.78 36.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.776 ' N ' HD23 ' A' ' 86' ' ' LEU . 6.6 p-80 -90.35 118.74 30.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.62 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.429 ' CD1' HG13 ' A' ' 103' ' ' ILE . 6.3 p90 -144.58 175.91 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.444 ' CG ' ' O ' ' A' ' 99' ' ' ILE . 2.7 mp0 -153.4 166.48 32.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.277 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.653 HG22 HD21 ' A' ' 30' ' ' LEU . 24.6 t -119.16 114.8 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.751 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 4.5 tp -90.35 135.35 33.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 96' ' ' VAL . 93.4 mt -126.42 152.18 46.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 94' ' ' SER . 9.6 mttt -101.12 174.8 5.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 93' ' ' LYS . 0.8 OUTLIER -31.9 109.09 0.29 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.1 Cg_endo -75.05 122.8 8.49 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.973 -2.511 . . . . 0.0 110.983 0.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 12.5 t -64.0 134.7 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.244 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.419 ' HG2' ' N ' ' A' ' 98' ' ' PHE . 40.3 tt0 -169.95 156.78 6.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.751 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 7.7 m-85 -127.18 158.69 36.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.953 HG23 HG21 ' A' ' 12' ' ' THR . 4.5 mp -128.36 162.46 34.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.609 ' O ' HG22 ' A' ' 12' ' ' THR . 6.3 mt-30 -128.25 88.64 2.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -94.88 -176.73 38.13 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -136.03 165.67 25.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 0.803 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.473 ' H ' HG23 ' A' ' 85' ' ' ILE . 8.1 mt -137.45 103.71 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -98.27 152.88 18.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.405 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 3.0 tp -89.44 126.6 35.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.245 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -39.51 106.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -175.63 135.2 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.255 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.3 p -41.5 161.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -105.57 93.52 4.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -149.86 141.57 23.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -169.44 114.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.617 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -169.89 130.15 0.93 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.91 19.36 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -104.02 142.64 34.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -159.95 -176.04 5.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.37 142.26 26.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -173.9 144.18 1.01 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.43 103.89 1.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -167.84 132.34 1.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 t -179.75 108.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.959 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -164.86 131.58 2.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.85 32.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.83 141.94 33.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.26 164.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.125 . . . . 0.0 111.027 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.58 132.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.999 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -168.26 167.45 12.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.14 -164.12 38.31 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.35 165.9 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.96 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -140.42 171.43 14.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.022 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.66 95.39 0.16 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.31 174.31 14.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.65 159.49 4.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.9 m -144.86 155.08 43.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 110.029 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.446 ' CB ' ' HG3' ' A' ' 102' ' ' GLU . . . -127.36 130.11 48.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 1.011 HG23 HG13 ' A' ' 13' ' ' ILE . 4.8 t -99.75 -32.68 10.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.37 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 1.011 HG13 HG23 ' A' ' 12' ' ' THR . 7.3 mt -128.42 147.26 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p -136.22 117.47 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.414 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.76 ' HD2' HG12 ' A' ' 27' ' ' VAL . 3.1 m-85 -98.7 170.61 8.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.6 p -131.14 117.72 19.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.049 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.445 HG12 HG23 ' A' ' 103' ' ' ILE . 8.9 p -160.84 140.02 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.66 -162.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.51 -25.14 10.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.29 35.71 2.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.502 ' HB ' ' CD1' ' A' ' 68' ' ' LEU . 3.3 m -49.81 132.32 22.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.401 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -65.05 161.67 18.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -67.89 134.73 51.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.47 50.28 50.73 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.565 1.166 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.05 136.67 51.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 0.754 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 27' ' ' VAL . 1.3 tp -66.39 112.39 4.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.76 HG12 ' HD2' ' A' ' 15' ' ' TYR . 50.4 t -77.88 -42.46 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.56 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 172.5 173.17 38.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 7.3 m-80 -92.29 136.5 33.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.662 HD21 ' CG2' ' A' ' 90' ' ' VAL . 7.9 tp -108.9 -38.57 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.575 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -78.02 -28.31 49.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.19 -15.81 27.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -72.91 -52.22 15.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.788 HD21 HD11 ' A' ' 13' ' ' ILE . 21.8 mt -83.6 6.41 20.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.31 16.5 64.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.8 mt -78.05 170.7 16.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.9 t -107.86 154.32 21.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.785 HD21 ' O ' ' A' ' 63' ' ' SER . 1.9 mm? -49.45 -62.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.425 ' O ' HG23 ' A' ' 43' ' ' THR . 9.9 ttt-85 -42.58 -46.27 4.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.7 -46.75 89.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.798 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -66.55 -24.56 66.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.723 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.1 mp -81.38 -46.45 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 39' ' ' ARG . 7.8 p -61.56 -44.15 97.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.4 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 -83.8 -0.09 49.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 39.77 79.87 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.547 1.154 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.943 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -89.41 124.58 34.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 0.753 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.776 ' CD ' HD23 ' A' ' 91' ' ' LEU . 13.8 pt20 -127.6 154.11 45.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.875 HG21 ' HB3' ' A' ' 57' ' ' LEU . 48.9 mm -90.63 138.39 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.1 mt -115.97 105.75 13.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.0 m -137.08 98.47 3.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm 65.05 113.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -84.66 52.2 4.67 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 t30 176.86 40.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.68 -65.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 77.2 101.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mp -111.33 13.13 21.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.875 ' HB3' HG21 ' A' ' 48' ' ' ILE . 14.9 mt -149.52 145.0 26.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.432 ' NE2' ' HZ2' ' A' ' 69' ' ' LYS . 2.2 tt0 -154.94 119.64 4.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.943 HD23 ' O ' ' A' ' 46' ' ' ALA . 6.2 tp -86.15 113.37 22.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.51 ' HB2' HD21 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -40.6 -50.65 3.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 3.8 tt0 85.3 -46.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.77 -6.9 54.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.785 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -125.27 -45.34 1.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.42 50.82 1.8 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.57 ' O ' HD22 ' A' ' 67' ' ' LEU . 38.1 m-20 -146.96 153.62 40.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.756 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -86.4 118.75 26.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.57 HD22 ' O ' ' A' ' 65' ' ' ASN . 1.8 mm? -109.89 134.22 52.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.704 HD13 HD21 ' A' ' 72' ' ' LEU . 53.0 mt -74.89 151.8 38.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.432 ' HZ2' ' NE2' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -94.46 -33.14 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -165.1 -174.18 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -71.78 120.1 16.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.704 HD21 HD13 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -61.89 103.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.45 ' O ' HD12 ' A' ' 77' ' ' LEU . 25.3 m-20 -47.51 140.22 6.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -79.04 -72.24 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -50.89 -53.15 35.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.243 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' C ' ' CD ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -41.77 -67.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 72' ' ' LEU . 11.6 mt -68.32 -76.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 7.0 p -173.61 100.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 108.267 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.96 107.65 1.01 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.3 t 41.54 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 0.722 . . . . 0.0 109.966 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.471 ' CG2' ' N ' ' A' ' 82' ' ' ASN . 1.3 m -141.66 168.45 19.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.437 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.493 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 4.1 m120 -141.98 145.38 35.97 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.4 Cg_endo -74.98 -5.95 21.87 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.018 -0.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 22.6 t 43.95 86.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 108.286 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.4 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 33.5 mt -113.24 136.58 49.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.475 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -71.92 152.36 42.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -109.98 109.86 20.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.629 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.501 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.5 p90 -146.07 170.56 16.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -154.94 143.33 20.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.662 ' CG2' HD21 ' A' ' 30' ' ' LEU . 94.5 t -88.55 116.57 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.776 HD23 ' CD ' ' A' ' 47' ' ' GLN . 5.4 tp -95.55 136.84 35.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.523 ' N ' HD12 ' A' ' 91' ' ' LEU . 39.9 mt -125.88 146.36 49.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 94' ' ' SER . 13.7 mttt -99.37 173.25 6.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 93' ' ' LYS . 22.8 p -34.15 110.94 0.39 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.3 Cg_endo -75.03 122.9 8.57 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.988 0.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 24.0 t -56.58 135.48 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.628 ' OE1' HD11 ' A' ' 99' ' ' ILE . 4.0 tm0? -161.29 153.0 19.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.67 ' C ' HD12 ' A' ' 99' ' ' ILE . 48.9 m-85 -136.64 150.82 48.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.866 HG23 HG21 ' A' ' 12' ' ' THR . 3.8 mp -128.26 162.9 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.985 ' O ' HG22 ' A' ' 12' ' ' THR . 4.8 pt20 -118.82 94.57 4.5 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.501 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -100.07 176.06 27.83 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.446 ' HG3' ' CB ' ' A' ' 11' ' ' ALA . 20.6 mt-10 -142.81 155.46 44.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.773 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.475 ' HB ' ' CB ' ' A' ' 86' ' ' LEU . 19.7 mt -123.87 102.07 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -78.44 148.73 33.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 107' ' ' ASP . 1.3 tp -84.63 128.98 34.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 105' ' ' LEU . 0.1 OUTLIER -38.21 96.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 105' ' ' LEU . 1.8 p-10 -63.13 108.89 1.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.486 ' O ' HG12 ' A' ' 108' ' ' VAL . 10.4 t -89.82 90.38 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -179.56 167.38 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -77.56 98.42 5.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.52 172.67 12.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.629 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . . . -115.03 142.79 29.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 112' ' ' ALA . 18.2 Cg_endo -75.01 -175.8 2.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.39 149.93 3.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -93.83 147.44 23.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 111.048 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.93 154.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.13 158.49 16.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -110.04 119.47 39.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -91.67 144.49 25.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.248 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 t -133.88 163.54 29.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -138.75 118.57 1.6 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 166.27 29.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.6 m -131.7 167.2 19.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.0 p -169.75 166.54 9.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.955 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 m 61.72 154.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.979 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.66 166.19 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.0 -171.81 25.22 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.73 154.56 33.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 0.795 . . . . 0.0 110.022 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -177.98 114.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.989 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.56 153.4 2.15 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -116.56 166.91 11.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.91 87.88 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.1 m -152.39 169.24 23.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 0.794 . . . . 0.0 109.994 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.04 131.08 23.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.999 HG23 HG13 ' A' ' 13' ' ' ILE . 6.0 t -105.48 -32.18 8.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.999 HG13 HG23 ' A' ' 12' ' ' THR . 18.0 mt -126.82 149.22 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -136.64 117.16 13.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.855 ' HD2' HG12 ' A' ' 27' ' ' VAL . 3.7 m-85 -100.89 159.1 15.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.3 p -128.14 114.86 17.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.66 ' CG2' HG21 ' A' ' 21' ' ' THR . 4.0 p -138.25 131.88 41.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -165.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.2 -28.56 13.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.37 57.63 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.66 HG21 ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -106.11 127.2 53.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.404 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 24' ' ' GLY . 0.5 OUTLIER -134.71 159.0 42.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -38.36 98.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 118.07 40.84 0.67 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.746 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -116.12 137.33 52.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.954 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.527 HD12 ' H ' ' A' ' 28' ' ' GLY . 2.1 tp -83.04 113.09 20.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.855 HG12 ' HD2' ' A' ' 15' ' ' TYR . 85.7 t -83.36 -37.27 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.527 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 156.48 166.18 15.86 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.43 ' OD1' ' N ' ' A' ' 33' ' ' ASP . 12.7 p30 -90.16 146.04 24.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.719 HD13 HD11 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -111.0 -49.88 2.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.589 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -60.38 -22.52 63.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.5 -35.6 12.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.535 ' OD2' ' CE1' ' A' ' 15' ' ' TYR . 12.3 m-20 -56.39 -58.99 5.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.744 HD21 ' CD1' ' A' ' 13' ' ' ILE . 11.0 mt -69.91 -10.02 57.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.35 20.21 77.33 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.6 mt -83.72 178.76 7.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.1 m -114.53 148.29 38.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.903 HD21 ' O ' ' A' ' 63' ' ' SER . 0.9 OUTLIER -41.34 -64.13 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.776 ' O ' HG23 ' A' ' 43' ' ' THR . 25.8 ttt180 -42.25 -50.01 4.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -48.09 78.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 1.045 HD13 ' HB3' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -63.02 -23.7 67.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.693 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -84.07 -47.2 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.776 HG23 ' O ' ' A' ' 39' ' ' ARG . 47.3 p -54.7 -50.37 68.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -85.96 6.9 26.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 110.307 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.13 83.49 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.045 ' HB3' HD13 ' A' ' 41' ' ' LEU . . . -96.02 119.21 34.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 0.737 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.564 ' CD ' HD23 ' A' ' 91' ' ' LEU . 8.9 pt20 -122.93 167.76 13.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.823 HG21 ' HB3' ' A' ' 57' ' ' LEU . 21.2 mm -98.33 133.48 40.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 49' ' ' LEU . 13.9 mt -117.45 108.18 15.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.1 t -134.53 108.45 8.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.412 ' NZ ' ' HG3' ' A' ' 76' ' ' GLU . 1.2 mtmt 72.02 -64.0 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.13 -61.01 0.31 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -62.1 -46.04 90.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -128.97 79.14 1.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.47 132.44 53.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mt -115.01 11.1 16.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.823 ' HB3' HG21 ' A' ' 48' ' ' ILE . 8.4 mt -139.61 149.76 44.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -155.49 115.39 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.446 ' CB ' HG12 ' A' ' 48' ' ' ILE . 1.4 tp -79.06 144.29 34.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.5 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 1.6 mt-10 -98.06 103.66 15.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -76.7 1.0 18.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.95 0.84 39.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.903 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -151.3 -55.47 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.989 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . 111.87 54.31 0.5 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -139.83 157.05 46.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.719 HD11 HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -92.7 113.19 25.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.5 ' CD2' ' HB2' ' A' ' 60' ' ' GLU . 2.5 mm? -107.5 139.26 42.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.746 HD12 ' HB3' ' A' ' 25' ' ' SER . 3.6 mt -79.72 163.98 24.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.04 -53.06 4.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -153.96 -177.81 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -55.63 124.96 19.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.739 HD11 HD22 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -64.39 104.66 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.55 127.17 17.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 78' ' ' CYS . 0.0 OUTLIER -75.26 -14.39 60.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -87.76 -58.92 2.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.412 ' HG3' ' NZ ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -44.48 -63.83 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.266 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 mt -71.63 -78.23 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 74' ' ' ARG . 1.9 p -179.35 -41.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 108.282 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 108.57 -58.47 0.39 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 43.3 t 179.09 61.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 0.795 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.507 ' CG2' ' O ' ' A' ' 81' ' ' THR . 0.3 OUTLIER -118.98 6.99 11.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.494 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 15.0 t-20 61.32 140.02 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.4 Cg_endo -75.01 -26.92 8.78 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.042 0.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 61.2 70.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 108.297 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.413 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 69.6 mt -122.22 131.49 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.402 1.064 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.477 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -72.03 134.49 45.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -97.97 115.45 28.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.62 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.514 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.6 p90 -150.65 171.79 16.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -154.89 148.49 25.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.486 HG21 HD21 ' A' ' 30' ' ' LEU . 87.0 t -91.55 121.9 42.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.746 HD13 ' CE1' ' A' ' 98' ' ' PHE . 7.5 tp -97.1 136.29 37.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 91' ' ' LEU . 85.0 mt -125.19 146.88 49.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 94' ' ' SER . 8.1 mttm -98.53 174.83 6.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 93' ' ' LYS . 21.8 p -34.66 111.09 0.41 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.4 Cg_endo -75.03 122.36 8.13 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.981 0.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 35.8 t -56.06 139.02 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.792 ' OE1' HD11 ' A' ' 99' ' ' ILE . 9.2 tm0? -165.64 157.63 14.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.746 ' CE1' HD13 ' A' ' 91' ' ' LEU . 96.4 m-85 -138.17 147.98 44.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.902 HG23 HG21 ' A' ' 12' ' ' THR . 4.2 mp -125.52 160.21 32.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.94 ' O ' HG22 ' A' ' 12' ' ' THR . 3.0 mt-30 -116.26 100.32 7.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.514 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -101.3 178.12 27.7 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -145.11 161.44 39.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.736 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.667 HD11 HD11 ' A' ' 57' ' ' LEU . 9.2 mt -133.33 106.0 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -94.64 151.83 18.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tp -84.95 128.7 34.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.38 114.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -61.89 142.1 57.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.3 t -90.29 103.87 14.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 41.0 p-10 -170.93 162.32 7.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.11 114.39 16.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -104.5 163.3 12.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.598 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -163.84 141.59 5.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 160.12 40.62 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -128.37 138.74 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -168.92 164.37 11.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -171.82 168.0 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 111.051 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -161.12 149.18 15.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 110.303 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.11 158.46 30.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 120' ' ' SER . 6.3 tt0 -153.15 137.98 17.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.408 ' N ' ' HG2' ' A' ' 119' ' ' GLU . 9.2 p -178.21 162.19 1.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.052 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -140.91 110.74 0.68 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 177.07 9.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.03 143.11 13.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.9 p -165.65 169.06 15.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.035 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 110.953 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 p -168.93 -58.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.995 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.92 160.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.99 150.21 7.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.6 p -155.36 152.96 29.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.5 146.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.9 -115.56 0.33 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.535 1.147 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 66.23 164.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.61 164.13 13.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.44 -49.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 109.965 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -118.48 131.65 56.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.998 HG23 HG13 ' A' ' 13' ' ' ILE . 8.0 t -104.8 -32.21 8.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.998 HG13 HG23 ' A' ' 12' ' ' THR . 19.6 mt -128.07 150.92 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -136.43 117.65 14.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.382 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.845 ' HD2' HG12 ' A' ' 27' ' ' VAL . 3.1 m-85 -101.95 169.05 9.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.967 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.6 p -130.02 105.25 7.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.955 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.733 HG12 HG23 ' A' ' 103' ' ' ILE . 12.3 p -149.0 146.3 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.02 -160.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.363 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.57 -25.53 9.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.3 44.9 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.49 ' CG2' HD11 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -57.42 126.62 28.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.435 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -58.86 172.23 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -77.09 138.32 39.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.93 51.19 53.6 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.474 1.108 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.95 139.29 50.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 0.793 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.804 HD13 ' HB3' ' A' ' 65' ' ' ASN . 7.7 tp -68.66 109.29 3.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.853 HG21 HD21 ' A' ' 57' ' ' LEU . 73.9 t -74.14 -50.76 26.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.533 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . -179.93 168.39 38.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -87.34 141.31 28.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.328 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.105 HD21 HG21 ' A' ' 90' ' ' VAL . 7.7 tp -116.93 -64.5 1.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.6 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -60.14 -27.81 67.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -89.45 -24.06 21.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 0.4 OUTLIER -64.44 -68.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.585 HD21 ' CD1' ' A' ' 13' ' ' ILE . 4.4 mm? -62.78 -14.33 43.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.73 20.51 53.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ALA . 77.6 mt -79.25 168.98 18.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.16 142.93 34.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.887 ' O ' HD12 ' A' ' 42' ' ' ILE . 2.7 mm? -43.35 -52.89 5.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -49.35 -51.46 34.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.343 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.08 -45.79 79.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.774 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -66.39 -27.32 67.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.887 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -78.81 -50.47 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.414 ' HG1' ' H ' ' A' ' 44' ' ' ARG . 6.6 p -52.44 -48.4 65.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.405 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.414 ' H ' ' HG1' ' A' ' 43' ' ' THR . 79.7 mtm-85 -85.48 9.68 15.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' ARG . . . 35.91 85.36 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.132 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.774 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -95.24 127.36 41.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.753 ' CD ' HD23 ' A' ' 91' ' ' LEU . 7.8 pt20 -133.57 154.56 50.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.57 HG21 ' HB3' ' A' ' 57' ' ' LEU . 23.9 mm -91.1 131.03 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 mt -105.33 105.08 14.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.66 100.12 4.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.973 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.55 178.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.402 ' O ' ' CB ' ' A' ' 53' ' ' ASN . . . -124.61 146.66 16.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.1 t30 74.7 -68.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.94 63.56 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -45.4 151.83 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt -115.59 -47.18 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.853 HD21 HG21 ' A' ' 27' ' ' VAL . 18.0 mt -107.88 154.01 22.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -155.1 111.16 3.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.65 HD23 ' O ' ' A' ' 46' ' ' ALA . 1.9 tp -82.14 129.19 34.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.6 OUTLIER -58.94 -50.75 72.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.88 ' O ' HD11 ' A' ' 42' ' ' ILE . 1.6 mt-30 86.44 -15.95 0.44 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.39 -13.94 15.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.412 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -116.18 -35.65 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.629 ' N ' HD11 ' A' ' 38' ' ' LEU . . . 87.73 38.62 7.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.127 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.804 ' HB3' HD13 ' A' ' 26' ' ' LEU . 20.4 m120 -133.09 160.98 35.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.754 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -94.79 116.79 29.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.597 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.6 mm? -107.89 144.89 34.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.688 HD22 HD11 ' A' ' 72' ' ' LEU . 20.8 mt -83.45 150.68 25.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -87.21 -42.12 13.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -162.29 -175.07 4.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -63.45 116.1 5.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.688 HD11 HD22 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -54.44 116.55 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.567 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -56.85 123.53 15.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -59.22 3.11 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -55.63 -59.41 4.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -40.2 -66.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 73' ' ' ASP . 8.7 mt -60.08 -78.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.9 -70.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 108.299 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 141.96 -118.41 1.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 t -106.14 58.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.015 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.493 HG22 ' N ' ' A' ' 82' ' ' ASN . 6.0 m -117.9 170.74 8.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.493 ' N ' HG22 ' A' ' 81' ' ' THR . 15.4 p-10 -130.93 147.51 66.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.4 Cg_endo -74.89 -30.92 5.66 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.029 -0.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.2 t 67.95 64.3 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.308 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 103' ' ' ILE . 56.4 mt -92.0 133.92 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.472 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -72.0 151.97 42.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -114.03 111.64 21.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.591 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.572 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 3.5 p90 -145.62 172.55 13.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -152.75 158.72 42.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 1.105 HG21 HD21 ' A' ' 30' ' ' LEU . 15.0 t -106.51 107.13 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.753 HD23 ' CD ' ' A' ' 47' ' ' GLN . 6.2 tp -78.02 136.31 37.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.513 ' N ' HD12 ' A' ' 91' ' ' LEU . 90.5 mt -127.1 149.77 49.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.496 ' O ' ' C ' ' A' ' 94' ' ' SER . 21.9 mttm -103.05 173.76 6.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 93' ' ' LYS . 52.6 p -31.93 109.35 0.29 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.4 Cg_endo -74.97 123.5 9.14 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.051 -2.479 . . . . 0.0 110.995 -0.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.1 t -62.46 134.6 27.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -170.9 154.44 4.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.618 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 9.1 m-85 -125.66 158.42 34.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.974 HG23 HG21 ' A' ' 12' ' ' THR . 4.1 mp -125.27 156.75 34.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.812 ' O ' HG22 ' A' ' 12' ' ' THR . 6.1 mt-30 -110.86 89.18 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.335 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.572 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -93.8 163.63 25.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.404 ' OE2' ' O ' ' A' ' 101' ' ' GLY . 29.7 mm-40 -135.21 156.92 48.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 0.778 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.733 HG23 HG12 ' A' ' 17' ' ' VAL . 14.1 mt -129.01 102.5 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -77.97 139.99 39.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.285 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 106' ' ' GLN . 3.2 tp -73.98 124.19 25.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.412 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -39.15 117.1 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.242 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -61.12 153.71 25.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.405 ' H ' HG22 ' A' ' 108' ' ' VAL . 2.7 m -61.1 137.56 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 168.98 158.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -179.72 147.14 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.32 162.05 16.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.61 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.25 115.93 2.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 138.62 23.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.26 168.86 9.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.53 156.51 26.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.8 ttt -172.65 139.94 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.68 167.97 19.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.82 166.89 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.093 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -178.9 145.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.9 171.11 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -141.21 130.8 4.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.567 1.167 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 177.55 8.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.789 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.76 144.41 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.31 167.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.985 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.145 . . . . 0.0 111.033 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -174.04 170.99 3.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 110.007 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m 59.65 152.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.976 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.37 -119.27 3.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -151.76 -54.35 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 0.793 . . . . 0.0 110.026 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 58.71 169.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.992 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.43 -116.36 0.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 54.22 173.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.4 179.84 27.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.18 -62.04 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.992 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.468 ' CB ' ' HG3' ' A' ' 102' ' ' GLU . . . -116.83 129.85 56.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.972 HG23 HG13 ' A' ' 13' ' ' ILE . 6.9 t -107.36 -32.45 7.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.972 HG13 HG23 ' A' ' 12' ' ' THR . 18.6 mt -129.51 151.55 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -136.1 119.66 17.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.389 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.83 ' HD2' HG12 ' A' ' 27' ' ' VAL . 4.2 m-85 -103.64 159.87 15.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 p -126.36 111.05 14.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.993 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.745 ' CG2' HG21 ' A' ' 21' ' ' THR . 2.7 p -136.93 132.01 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.03 -168.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -95.99 -16.51 21.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 20' ' ' GLU . 1.3 pt-20 -81.53 56.18 2.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.745 HG21 ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -111.35 143.64 41.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 24' ' ' GLY . 3.9 t0 -145.78 -178.85 6.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.6 ptt-85 -58.83 84.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . 128.85 46.47 0.18 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.485 1.115 . . . . 0.0 111.049 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.757 ' HB3' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -120.3 136.01 54.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 110.01 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.546 HD12 ' N ' ' A' ' 27' ' ' VAL . 1.9 tp -80.03 114.59 19.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.83 HG12 ' HD2' ' A' ' 15' ' ' TYR . 94.1 t -86.91 -36.92 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.502 ' N ' HD12 ' A' ' 26' ' ' LEU . . . 158.78 166.52 18.0 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 10.3 p30 -91.34 143.93 26.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.752 HD21 HG21 ' A' ' 90' ' ' VAL . 8.4 tp -108.44 -23.77 11.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.481 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -83.67 -31.89 25.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -35.96 20.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.422 ' OD2' ' CE1' ' A' ' 15' ' ' TYR . 4.6 m-20 -50.93 -67.42 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.723 HD21 ' CD1' ' A' ' 13' ' ' ILE . 7.8 mt -62.75 -15.25 52.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.45 19.26 58.87 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ALA . 93.5 mt -86.03 178.34 7.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.777 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.96 158.95 21.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.947 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.031 HD21 ' O ' ' A' ' 63' ' ' SER . 1.4 mm? -47.0 -62.5 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -42.33 -53.71 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.7 -47.79 73.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.844 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -66.1 -24.28 66.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.841 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -79.95 -46.93 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.1 p -56.2 -51.26 68.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.376 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.5 mtm-85 -79.0 -4.22 48.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.241 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.45 81.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.844 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -95.2 125.21 39.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.258 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -142.78 158.74 43.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.929 HG21 ' HB3' ' A' ' 57' ' ' LEU . 12.8 mm -91.94 125.83 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.573 HD11 ' HB2' ' A' ' 91' ' ' LEU . 10.4 mt -90.18 166.9 13.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.44 ' CB ' ' HB2' ' A' ' 55' ' ' GLN . 12.9 p -76.08 144.7 40.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.641 ' HZ1' HD21 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -45.18 -39.43 6.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 165.73 -53.79 0.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -99.77 -30.17 12.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.87 157.98 43.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.697 ' C ' HD12 ' A' ' 56' ' ' LEU . 18.8 tt0 -106.48 136.7 45.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.738 ' N ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -131.76 20.21 4.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.929 ' HB3' HG21 ' A' ' 48' ' ' ILE . 11.3 mt -143.93 147.64 34.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -155.32 117.48 4.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -86.94 143.6 27.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.476 ' CA ' ' OE1' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -97.62 103.61 15.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.05 -7.19 33.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.11 -10.24 33.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 1.031 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -133.12 -65.45 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . 119.27 36.31 0.87 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.521 ' O ' HD22 ' A' ' 67' ' ' LEU . 67.6 m-20 -125.27 153.48 43.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.719 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -88.46 117.1 27.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.521 HD22 ' O ' ' A' ' 65' ' ' ASN . 2.1 mm? -108.29 135.78 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.933 HD22 HD11 ' A' ' 72' ' ' LEU . 3.3 mt -81.61 151.34 27.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.27 -38.73 50.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -171.91 -175.05 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -52.68 135.54 34.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.933 HD11 HD22 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -75.99 100.67 4.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.908 ' O ' HD12 ' A' ' 77' ' ' LEU . 5.5 m-20 -40.69 149.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' CYS . 56.9 mtt180 -100.71 -46.43 5.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -62.07 -55.29 30.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -50.16 -58.35 5.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.908 HD12 ' O ' ' A' ' 73' ' ' ASP . 11.1 mt -69.55 -80.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 74' ' ' ARG . 1.6 p -169.19 -43.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 108.304 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.88 -43.57 1.84 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.09 46.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.039 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 81' ' ' THR . 0.4 OUTLIER -113.18 3.16 15.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.491 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 0.4 OUTLIER 58.77 152.57 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.1 Cg_endo -75.09 -22.54 13.87 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.991 -2.504 . . . . 0.0 110.968 0.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 62.13 60.67 1.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 108.292 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.502 HG23 ' H ' ' A' ' 103' ' ' ILE . 69.2 mt -120.02 123.36 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -84.48 114.52 21.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.544 ' N ' HD23 ' A' ' 86' ' ' LEU . 7.4 p80 -100.18 124.23 45.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.627 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.559 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 23.2 p90 -117.72 179.69 3.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -136.85 116.03 12.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.752 HG21 HD21 ' A' ' 30' ' ' LEU . 84.9 t -82.4 120.82 34.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 92' ' ' LEU . 8.2 tp -91.71 133.7 35.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.6 ' N ' HD12 ' A' ' 91' ' ' LEU . 31.2 mt -125.97 145.36 50.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.466 ' O ' ' C ' ' A' ' 94' ' ' SER . 10.7 mttp -98.78 175.08 6.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.492 ' HA ' ' HA ' ' A' ' 95' ' ' PRO . 24.7 p -34.17 111.09 0.39 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.492 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.4 Cg_endo -75.02 122.42 8.18 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.998 0.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 24.9 t -59.76 133.4 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.463 ' CG ' ' N ' ' A' ' 98' ' ' PHE . 48.0 tt0 -167.31 163.68 15.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.725 ' C ' HD12 ' A' ' 99' ' ' ILE . 15.4 m-85 -134.99 157.19 47.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.922 HG23 HG21 ' A' ' 12' ' ' THR . 3.5 mp -127.45 164.82 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.544 ' O ' HG22 ' A' ' 12' ' ' THR . 2.4 mt-30 -126.73 81.82 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.559 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -84.15 176.06 51.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.468 ' HG3' ' CB ' ' A' ' 11' ' ' ALA . 11.6 mt-10 -134.25 174.44 10.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.502 ' H ' HG23 ' A' ' 85' ' ' ILE . 4.8 mt -145.63 107.25 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -91.86 134.69 34.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.01 122.26 32.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -54.3 154.75 4.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.07 108.96 19.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.3 t -89.89 149.61 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.5 t30 54.17 90.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 178.91 140.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.99 161.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.603 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.99 115.61 1.54 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 145.21 31.37 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.462 1.769 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -133.95 135.96 43.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -45.16 103.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.03 120.4 18.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.87 132.29 34.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -162.09 104.81 1.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -151.5 144.96 24.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.8 132.83 48.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -62.02 152.74 42.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 57.1 4.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.798 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.0 t -52.49 150.7 4.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.01 92.18 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 p -149.07 111.98 4.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 110.048 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.32 131.63 16.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.72 155.12 26.01 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.52 1.138 . . . . 0.0 111.047 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 t -115.46 -58.98 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 46.39 84.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.82 70.43 0.41 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.06 170.16 12.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.778 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.56 -57.95 5.04 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.65 147.8 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 0.792 . . . . 0.0 110.022 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.409 ' CB ' ' HG2' ' A' ' 102' ' ' GLU . . . -86.25 167.63 14.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.959 HG21 HG23 ' A' ' 99' ' ' ILE . 3.4 t -90.41 -34.02 15.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.823 HG13 HG23 ' A' ' 12' ' ' THR . 6.2 mt -139.51 143.24 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.97 118.95 15.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.345 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.796 ' HD2' HG12 ' A' ' 27' ' ' VAL . 4.7 m-85 -95.41 167.38 11.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 p -123.76 103.94 8.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 0.0 110.013 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.526 HG11 HG13 ' A' ' 27' ' ' VAL . 11.7 p -155.38 145.86 12.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.416 ' N ' ' HB2' ' A' ' 106' ' ' GLN . 0.4 OUTLIER -58.59 -159.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.408 ' HB3' HD13 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -114.83 -24.84 8.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.257 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.95 28.08 8.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.548 ' HB ' HD13 ' A' ' 68' ' ' LEU . 2.3 m -48.01 131.61 15.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.155 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -60.55 156.85 15.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.427 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -71.17 125.77 27.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.36 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.07 38.4 6.82 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.03 144.85 36.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.017 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' ' 27' ' ' VAL . 1.3 tp -75.47 113.33 12.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.796 HG12 ' HD2' ' A' ' 15' ' ' TYR . 45.1 t -82.19 -38.91 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.564 ' HA3' ' CE2' ' A' ' 15' ' ' TYR . . . 167.83 -173.54 42.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.403 ' C ' ' OH ' ' A' ' 15' ' ' TYR . 5.5 p30 -103.6 137.2 41.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.78 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.942 HD21 HG22 ' A' ' 90' ' ' VAL . 8.3 tp -104.29 -41.53 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.594 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -75.66 -46.63 30.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -15.29 62.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.55 -52.34 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.751 HD21 ' CD1' ' A' ' 13' ' ' ILE . 10.7 mt -87.85 13.28 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.29 23.92 60.61 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' ALA . 93.7 mt -85.36 173.1 10.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.34 146.92 36.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.782 ' O ' HD12 ' A' ' 42' ' ' ILE . 1.3 mm? -45.97 -58.59 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -41.59 -49.16 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -53.1 60.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.622 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -58.04 -26.02 61.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 1.178 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.782 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -76.81 -54.83 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.2 p -58.08 -50.06 74.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.402 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -68.42 -11.07 59.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 50.66 83.83 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.453 1.095 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.868 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -96.56 124.72 40.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.656 ' CD ' HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -130.46 156.93 43.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.332 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.632 HG21 ' HB3' ' A' ' 57' ' ' LEU . 14.0 mm -94.82 131.11 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.0 mt -113.78 106.23 14.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.6 m -136.55 122.96 20.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.42 -172.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.76 142.91 14.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 40.91 62.57 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.767 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.66 -68.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 60.25 112.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.418 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 5.2 mp -98.14 -11.25 23.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.632 ' HB3' HG21 ' A' ' 48' ' ' ILE . 25.8 mt -115.8 151.06 35.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -155.32 112.1 3.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 46' ' ' ALA . 3.2 tp -87.52 119.43 27.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 2.2 mm-40 -49.89 -48.79 51.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.622 ' O ' HD11 ' A' ' 42' ' ' ILE . 2.1 tt0 86.01 -11.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.255 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -104.6 -33.17 8.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.351 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -98.01 -28.19 13.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.638 ' N ' HD11 ' A' ' 38' ' ' LEU . . . 79.94 53.3 4.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.487 ' O ' HD12 ' A' ' 59' ' ' LEU . 41.0 m-20 -147.02 169.43 19.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.696 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -99.97 121.09 40.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.541 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.5 mm? -114.99 129.76 56.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.682 HD22 HD21 ' A' ' 72' ' ' LEU . 7.8 mt -72.03 135.97 46.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.565 1.165 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -65.88 -60.39 2.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.427 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 1.6 pt-20 -140.0 -175.09 4.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.8 ttpp -65.92 111.56 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.682 HD21 HD22 ' A' ' 68' ' ' LEU . 1.1 mm? -53.33 123.39 11.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.568 ' O ' HD12 ' A' ' 77' ' ' LEU . 12.4 m-20 -79.04 138.11 37.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 74' ' ' ARG . 2.9 mtm105 -68.59 -61.78 1.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 76' ' ' GLU . 26.1 tt0 -54.26 -54.89 33.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 75' ' ' GLU . 3.4 tt0 -39.09 -63.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.673 HD11 ' HB3' ' A' ' 72' ' ' LEU . 2.6 mt -67.98 -75.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -139.59 -94.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 108.291 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 135.77 -54.16 0.75 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 0.0 111.045 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 86.3 p -153.19 62.54 0.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.959 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.505 ' CG2' ' N ' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -139.0 168.49 19.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.437 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.505 ' N ' ' CG2' ' A' ' 81' ' ' THR . 1.6 t30 -154.05 141.78 13.82 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.2 Cg_endo -75.06 161.19 95.31 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.971 0.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.536 ' CB ' HD22 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -110.07 57.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 108.307 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.59 HG21 ' HB3' ' A' ' 102' ' ' GLU . 36.2 mt -87.35 138.44 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.4 153.79 33.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.506 ' CE1' ' O ' ' A' ' 85' ' ' ILE . 0.8 OUTLIER -115.39 111.8 21.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.649 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.583 ' CE1' ' O ' ' A' ' 101' ' ' GLY . 18.7 p90 -140.73 174.55 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -154.24 137.42 15.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.942 HG22 HD21 ' A' ' 30' ' ' LEU . 40.5 t -90.08 109.33 20.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.822 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 5.5 tp -86.49 137.73 32.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 91' ' ' LEU . 93.8 mt -131.19 150.58 52.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.48 ' O ' ' C ' ' A' ' 94' ' ' SER . 17.5 mttt -100.23 176.52 5.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 93' ' ' LYS . 42.2 p -33.02 109.92 0.33 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.0 122.43 8.19 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.989 -2.505 . . . . 0.0 111.022 0.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.5 t -62.14 128.85 24.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -163.04 158.23 21.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.822 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 48.2 m-85 -133.31 157.93 44.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.959 HG23 HG21 ' A' ' 12' ' ' THR . 3.8 mp -125.11 164.77 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.609 ' O ' HG22 ' A' ' 12' ' ' THR . 9.2 mt-30 -124.54 79.44 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.583 ' O ' ' CE1' ' A' ' 88' ' ' PHE . . . -99.38 145.47 17.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.59 ' HB3' HG21 ' A' ' 85' ' ' ILE . 43.8 mm-40 -109.82 170.26 8.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.544 ' H ' HG23 ' A' ' 85' ' ' ILE . 9.9 mt -129.02 111.51 23.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 15' ' ' TYR . 78.7 mt-30 -73.59 134.91 43.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.536 HD22 ' CB ' ' A' ' 84' ' ' CYS . 2.4 tp -80.53 126.35 31.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.416 ' HB2' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -60.65 121.36 12.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -112.59 141.11 46.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.0 p -42.28 144.75 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -167.66 101.01 0.48 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -177.99 131.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.87 117.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.61 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -170.15 114.61 0.48 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.72 19.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.461 1.769 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.29 119.86 40.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -175.69 98.98 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.06 110.42 22.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 179.08 168.48 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -71.35 177.07 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -144.29 165.53 27.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 94.6 p -89.91 139.3 30.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.15 146.16 26.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.494 1.122 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -175.55 2.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 52.1 p -141.84 128.82 20.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.981 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.3 t -147.76 108.46 4.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.974 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 t -173.89 91.28 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 0.786 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -150.32 143.25 24.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.958 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.72 142.55 8.48 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.67 128.31 20.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 0.735 . . . . 0.0 110.001 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.56 109.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.14 107.3 0.84 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.62 136.73 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 0.769 . . . . 0.0 109.237 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.08 -96.93 2.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.145 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.66 170.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.996 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -47.81 129.28 14.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.97 HG23 HG13 ' A' ' 13' ' ' ILE . 6.0 t -103.03 -29.2 11.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.371 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.97 HG13 HG23 ' A' ' 12' ' ' THR . 10.3 mt -134.97 150.75 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -135.99 117.91 15.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.393 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.821 ' CD2' HG12 ' A' ' 27' ' ' VAL . 6.3 m-85 -98.77 168.35 10.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.1 p -131.94 118.69 20.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.565 HG22 ' CG2' ' A' ' 21' ' ' THR . 9.0 p -145.67 134.75 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.3 -166.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -108.55 -21.38 12.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -99.88 51.64 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.638 ' OG1' HD23 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -65.61 156.35 33.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.426 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.27 -175.97 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.2 mtt85 -78.37 88.28 4.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.12 34.45 1.64 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 111.067 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.44 ' CB ' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -83.96 133.28 34.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.986 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.497 HD12 ' H ' ' A' ' 28' ' ' GLY . 3.2 tp -69.11 111.6 5.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.821 HG12 ' CD2' ' A' ' 15' ' ' TYR . 47.1 t -83.11 -36.81 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.497 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 160.4 -175.49 37.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 1.3 m-80 -98.93 141.78 31.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.83 HD21 HG22 ' A' ' 90' ' ' VAL . 12.9 tp -107.57 -56.5 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.543 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -59.95 -48.02 83.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -67.38 -35.27 78.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.503 ' OD2' HG21 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -49.92 -51.53 40.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.798 HD21 HD11 ' A' ' 13' ' ' ILE . 18.4 mt -90.13 20.08 4.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.37 26.55 9.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' ALA . 88.3 mt -86.03 177.63 7.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 t -112.16 144.86 40.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.879 HD21 ' O ' ' A' ' 63' ' ' SER . 2.4 mm? -42.37 -63.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.814 ' O ' HG23 ' A' ' 43' ' ' THR . 7.6 ttp180 -41.13 -55.26 2.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -51.26 -46.21 62.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.803 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -65.91 -22.54 66.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -85.17 -51.47 13.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.814 HG23 ' O ' ' A' ' 39' ' ' ARG . 52.3 p -50.59 -48.44 57.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.38 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 45' ' ' GLY . 53.0 mtm-85 -85.23 11.05 10.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' ARG . . . 36.55 82.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.803 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -92.8 126.4 37.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.747 ' CD ' HD23 ' A' ' 91' ' ' LEU . 8.6 pt20 -130.87 165.63 22.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.967 HG21 ' HB3' ' A' ' 57' ' ' LEU . 24.5 mm -98.07 137.88 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 48' ' ' ILE . 14.7 mt -122.47 107.81 12.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.23 122.44 33.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.982 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.78 -76.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.32 -115.92 0.58 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.26 -51.44 44.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -96.11 118.4 32.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -107.7 134.95 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mp -95.88 13.29 27.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.967 ' HB3' HG21 ' A' ' 48' ' ' ILE . 9.8 mt -133.84 151.54 51.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.09 123.74 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 46' ' ' ALA . 14.0 tp -84.25 119.19 24.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 2.3 tt0 -42.35 -61.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.646 ' O ' HD12 ' A' ' 38' ' ' LEU . 0.7 OUTLIER 86.9 -43.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.79 2.15 24.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.879 ' O ' HD21 ' A' ' 38' ' ' LEU . 3.5 m -145.66 -46.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.92 53.98 0.83 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.422 ' O ' HD22 ' A' ' 67' ' ' LEU . 34.9 m120 -137.35 151.99 49.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.362 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.831 HD23 HD22 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -92.74 102.8 15.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.611 ' N ' HD22 ' A' ' 67' ' ' LEU . 1.6 mm? -100.25 147.45 25.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.736 HD13 HD21 ' A' ' 72' ' ' LEU . 12.6 mt -79.4 136.32 36.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.444 ' CD ' ' HG2' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -51.62 -44.18 62.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.444 ' HG2' ' CD ' ' A' ' 69' ' ' LYS . 4.9 pt-20 -176.03 -174.56 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -49.59 127.69 16.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.736 HD21 HD13 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -85.34 138.39 32.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.0 83.63 6.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 78' ' ' CYS . 25.7 mtm180 -39.24 -53.68 1.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -56.35 -63.34 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -42.91 -61.15 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.275 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 72' ' ' LEU . 6.2 mt -62.4 -77.54 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' ARG . 5.2 p -172.01 100.72 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 108.296 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.55 105.91 0.67 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.5 t 41.04 86.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.74 . . . . 0.0 110.054 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.493 HG22 ' N ' ' A' ' 82' ' ' ASN . 3.6 m -133.32 170.45 15.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.494 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 1.6 m-20 -141.43 144.19 32.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.6 Cg_endo -74.95 -17.47 19.89 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.028 -0.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.2 t 56.25 92.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 108.322 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.456 ' O ' ' CD2' ' A' ' 87' ' ' HIS . 72.8 mt -121.93 129.96 74.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.459 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -72.31 152.59 42.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -115.13 116.0 27.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.579 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.408 ' O ' ' HG3' ' A' ' 89' ' ' GLN . 12.7 p90 -147.42 163.33 36.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 88' ' ' PHE . 8.5 mt-30 -141.88 137.74 31.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.83 HG22 HD21 ' A' ' 30' ' ' LEU . 12.0 t -86.21 113.63 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.747 HD23 ' CD ' ' A' ' 47' ' ' GLN . 11.2 tp -88.51 134.92 33.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 91' ' ' LEU . 23.9 mt -125.72 146.63 49.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 94' ' ' SER . 13.1 mttt -97.47 175.29 6.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 93' ' ' LYS . 24.7 p -34.97 111.9 0.43 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.3 Cg_endo -75.01 122.61 8.34 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.979 -0.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.1 t -57.63 130.71 20.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.135 . . . . 0.0 109.359 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 98' ' ' PHE . 46.6 tt0 -159.25 152.01 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.695 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 51.1 m-85 -129.35 158.49 38.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.887 HG23 HG21 ' A' ' 12' ' ' THR . 4.7 mp -134.09 164.83 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.601 ' O ' HG22 ' A' ' 12' ' ' THR . 6.0 mt-30 -127.95 85.05 2.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -87.51 -170.44 46.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -148.35 162.08 40.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.74 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.477 HD11 HD11 ' A' ' 57' ' ' LEU . 9.3 mt -131.6 101.94 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -89.47 150.48 22.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.333 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 106' ' ' GLN . 0.3 OUTLIER -87.59 142.13 28.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.524 ' N ' HD12 ' A' ' 105' ' ' LEU . 1.2 mm100 -49.64 145.04 5.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.333 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.22 153.36 20.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.1 t -93.21 117.15 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -178.11 -58.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.57 106.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -169.63 65.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.592 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -112.17 118.21 46.37 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -179.32 4.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.3 145.28 45.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.361 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -159.6 87.19 0.81 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.3 ttt -137.03 15.61 3.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.75 134.93 35.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.27 92.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -170.43 169.15 7.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.42 155.56 0.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.945 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -153.6 162.03 30.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.49 12.69 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.464 1.771 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.5 m -110.11 164.24 12.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.1 p -151.71 165.63 33.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.6 t -158.26 -58.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.974 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.58 156.05 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.69 116.26 1.97 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.41 165.01 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 0.0 110.02 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.53 107.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.038 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.73 88.36 0.08 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -154.22 138.29 16.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 148.34 132.15 2.14 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.79 -60.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 109.981 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -118.08 130.61 56.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.954 HG21 HG23 ' A' ' 99' ' ' ILE . 2.8 t -98.14 -33.3 11.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.747 HG13 HG23 ' A' ' 12' ' ' THR . 14.9 mt -134.37 151.62 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -135.78 124.83 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.887 ' CD2' HG12 ' A' ' 27' ' ' VAL . 8.9 m-85 -107.35 166.48 10.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.9 p -132.39 113.4 13.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.96 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.601 ' CG2' ' CG2' ' A' ' 21' ' ' THR . 7.1 p -135.79 135.91 50.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.34 -168.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.89 -22.46 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -101.71 55.99 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.71 ' OG1' HD23 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -68.46 156.81 37.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.374 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.11 167.58 14.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.448 ' HD3' ' CB ' ' A' ' 70' ' ' GLU . 5.9 mtt85 -58.12 103.25 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.91 36.76 5.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.636 ' CB ' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -81.51 134.83 35.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.785 . . . . 0.0 110.012 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 27' ' ' VAL . 2.8 tp -68.92 112.82 5.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.887 HG12 ' CD2' ' A' ' 15' ' ' TYR . 34.8 t -86.0 -37.58 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.448 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 162.58 -165.29 36.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.415 ' O ' ' OH ' ' A' ' 15' ' ' TYR . 8.9 m-20 -108.83 143.84 37.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.818 HD21 HG22 ' A' ' 90' ' ' VAL . 13.2 tp -111.28 -42.87 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.86 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -82.74 -41.75 18.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -73.78 -15.2 61.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.406 ' OD2' ' CG2' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -66.73 -76.27 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.462 HD21 ' CD1' ' A' ' 13' ' ' ILE . 4.5 mm? -62.63 -14.59 45.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.09 16.45 53.97 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.3 mt -73.97 166.78 22.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.7 m -103.19 151.27 22.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.754 HD21 ' O ' ' A' ' 63' ' ' SER . 2.6 mm? -49.98 -57.61 7.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -36.98 -52.91 0.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.63 -52.47 65.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.86 ' HG ' ' HB2' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -55.37 -25.63 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.625 HD12 ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -83.6 -60.43 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.4 p -55.65 -39.23 70.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -80.41 4.17 18.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 39.12 73.68 0.16 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.758 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -94.67 124.17 38.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.574 ' CD ' HD23 ' A' ' 91' ' ' LEU . 8.6 pt20 -132.96 169.3 16.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.871 HG21 ' HB3' ' A' ' 57' ' ' LEU . 18.2 mm -101.1 137.86 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.7 mt -117.93 106.81 13.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.4 t -136.65 117.44 14.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.02 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.24 154.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -89.03 143.51 17.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.47 -61.39 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 0.723 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.53 156.42 18.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.32 139.2 46.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.0 18.82 13.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.871 ' HB3' HG21 ' A' ' 48' ' ' ILE . 12.2 mt -148.57 145.97 28.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.05 110.4 3.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.274 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.57 137.82 31.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.601 ' OE2' HD21 ' A' ' 67' ' ' LEU . 14.4 pt-20 -98.18 111.94 24.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.4 -0.07 21.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -13.48 57.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.754 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -141.38 -52.67 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.74 57.71 0.4 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -138.0 152.29 48.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.685 HD23 HD22 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -95.04 107.23 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.601 HD21 ' OE2' ' A' ' 60' ' ' GLU . 1.7 mm? -103.04 155.76 18.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.636 HD12 ' CB ' ' A' ' 25' ' ' SER . 5.1 mt -88.15 142.46 27.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -62.85 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.448 ' CB ' ' HD3' ' A' ' 23' ' ' ARG . 2.9 pt-20 -157.2 -173.98 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -48.82 123.9 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.71 HD23 ' OG1' ' A' ' 21' ' ' THR . 1.1 mm? -77.29 156.28 31.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.478 ' O ' HD12 ' A' ' 77' ' ' LEU . 3.8 m-20 -96.35 115.47 27.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 78' ' ' CYS . 0.9 OUTLIER -59.59 -60.98 2.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 76' ' ' GLU . 7.2 mm-40 -55.55 -62.34 1.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 75' ' ' GLU . 3.5 tt0 -38.65 -61.48 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' ' 72' ' ' LEU . 5.2 mt -67.17 -76.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.43 ' N ' ' O ' ' A' ' 74' ' ' ARG . 1.2 p -163.63 -63.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 108.278 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 124.61 -79.53 0.36 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.563 1.164 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.07 55.37 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 110.008 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.505 HG22 ' N ' ' A' ' 82' ' ' ASN . 19.0 m -114.18 171.18 7.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.505 ' N ' HG22 ' A' ' 81' ' ' THR . 18.8 p30 -132.02 151.24 78.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.4 Cg_endo -75.03 -30.46 6.01 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.007 0.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t 66.2 87.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.283 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.422 HG23 ' H ' ' A' ' 103' ' ' ILE . 68.2 mt -119.45 134.6 62.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.465 ' CB ' ' HB ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -74.0 153.13 39.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -113.84 114.19 25.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.621 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.412 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 8.6 p90 -146.66 171.5 15.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 99' ' ' ILE . 2.7 mp0 -154.81 136.31 14.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.818 HG22 HD21 ' A' ' 30' ' ' LEU . 15.6 t -85.49 113.5 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.576 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 4.5 tp -88.21 136.89 32.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 91' ' ' LEU . 92.6 mt -125.63 147.78 49.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 94' ' ' SER . 34.6 mttt -100.79 173.15 6.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 93' ' ' LYS . 39.0 p -33.98 110.89 0.38 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.004 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.05 122.74 8.45 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.978 0.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.0 t -57.38 140.1 16.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -168.47 146.08 4.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.576 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 54.7 m-85 -125.7 154.05 42.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.954 HG23 HG21 ' A' ' 12' ' ' THR . 4.2 mp -128.96 165.21 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.63 ' O ' HG22 ' A' ' 12' ' ' THR . 5.2 mt-30 -132.64 86.35 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.345 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.412 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -89.92 -174.42 45.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -140.79 155.31 46.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 110.332 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.465 ' HB ' ' CB ' ' A' ' 86' ' ' LEU . 8.9 mt -125.82 103.1 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -89.91 154.05 20.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 106' ' ' GLN . 1.2 tp -91.27 133.38 35.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.565 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -39.2 131.12 1.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.01 163.08 12.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.1 t -95.45 116.65 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 60.15 98.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -70.71 132.28 45.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -45.21 111.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.631 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.402 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . . . -40.59 138.98 1.18 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 112' ' ' ALA . 18.4 Cg_endo -75.0 131.14 13.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.79 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 115' ' ' PHE . 0.9 OUTLIER -68.42 138.73 55.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 114' ' ' GLU . 0.4 OUTLIER -37.6 156.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.04 13.63 24.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.09 146.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.083 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -137.52 142.8 41.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -98.25 147.55 24.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.275 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.99 166.84 31.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -116.98 143.37 18.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 178.39 7.33 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.22 162.47 19.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.9 p -88.08 159.11 18.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 m 58.75 86.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 110.0 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.82 157.32 46.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.44 148.55 5.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.83 157.03 6.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.752 . . . . 0.0 110.026 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.71 158.88 40.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.049 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.2 167.28 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.92 -57.94 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.8 -179.15 6.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.15 174.68 0.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 0.744 . . . . 0.0 110.054 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.666 ' HB2' ' OE2' ' A' ' 102' ' ' GLU . . . -86.25 130.65 34.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.965 HG23 HG13 ' A' ' 13' ' ' ILE . 4.2 t -99.09 -33.18 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.442 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.965 HG13 HG23 ' A' ' 12' ' ' THR . 5.1 mt -133.37 143.51 38.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 p -137.27 115.03 11.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.799 ' HD2' HG12 ' A' ' 27' ' ' VAL . 3.5 m-85 -97.86 169.06 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.7 p -128.54 115.79 18.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.005 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.409 HG22 ' OG1' ' A' ' 21' ' ' THR . 8.4 p -151.62 155.94 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.83 -174.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.711 ' HG2' HD12 ' A' ' 105' ' ' LEU . 10.9 mt-10 -100.72 -13.35 18.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -122.46 38.12 4.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.637 ' HB ' HD13 ' A' ' 68' ' ' LEU . 1.7 m -55.22 128.96 36.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.17 174.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -80.32 125.45 29.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.6 48.44 6.7 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.488 1.118 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.446 ' CB ' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -108.45 138.74 44.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 109.987 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.625 HD12 ' H ' ' A' ' 28' ' ' GLY . 3.6 tp -70.53 111.32 5.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.799 HG12 ' HD2' ' A' ' 15' ' ' TYR . 48.3 t -80.5 -33.28 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.625 ' H ' HD12 ' A' ' 26' ' ' LEU . . . 157.65 168.29 19.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.456 ' C ' ' HH ' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -93.1 139.77 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.945 HD21 HG21 ' A' ' 90' ' ' VAL . 7.8 tp -104.4 -54.51 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.578 ' HB2' ' HG ' ' A' ' 41' ' ' LEU . . . -60.41 -31.91 70.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -81.44 -34.41 31.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.12 -68.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.504 HD21 ' CD1' ' A' ' 13' ' ' ILE . 4.3 mm? -62.78 -16.15 56.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.37 10.78 70.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' ALA . 27.3 mt -74.02 163.69 27.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.8 m -99.25 142.78 30.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.588 1.18 . . . . 0.0 110.048 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 61' ' ' GLN . 1.6 mm? -41.23 -58.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -39.61 -54.88 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -54.59 -53.55 53.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 0.0 110.295 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.585 HD13 ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -57.01 -47.08 81.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mt -55.41 -58.88 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.1 p -52.89 -53.15 53.34 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 -64.17 -15.66 60.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.18 76.31 0.2 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.86 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -94.03 125.42 38.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.634 ' CD ' HD23 ' A' ' 91' ' ' LEU . 8.2 pt20 -129.24 158.23 39.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.511 HG21 ' CB ' ' A' ' 57' ' ' LEU . 9.4 mm -92.77 130.71 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.0 mt -99.9 105.17 16.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.42 ' HB3' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -137.47 107.91 6.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.966 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.0 mttm 65.23 173.29 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -81.16 -90.41 0.55 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -76.38 -33.69 58.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -80.86 139.48 35.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.98 136.04 54.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD12 ' HB3' ' A' ' 50' ' ' SER . 1.1 mt -111.4 -34.65 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.688 HD21 HG21 ' A' ' 27' ' ' VAL . 20.3 mt -117.74 160.18 21.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.37 103.35 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.86 HD23 ' O ' ' A' ' 46' ' ' ALA . 15.1 tp -78.69 99.5 6.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.455 ' HG2' ' CD2' ' A' ' 67' ' ' LEU . 15.4 pt-20 -48.54 -38.26 19.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.547 ' O ' HD12 ' A' ' 38' ' ' LEU . 1.2 tt0 74.38 3.33 4.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -81.72 -45.56 15.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.419 ' C ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -124.0 5.02 8.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.028 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.16 47.37 59.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.593 ' ND2' HD22 ' A' ' 26' ' ' LEU . 13.3 m-20 -119.41 149.98 40.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.763 HD13 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -92.3 119.08 31.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.455 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 2.2 mm? -111.65 140.07 46.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.637 HD13 ' HB ' ' A' ' 21' ' ' THR . 12.4 mt -81.58 143.45 31.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.409 ' CE ' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -74.91 -42.81 57.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -162.72 -175.6 4.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.65 116.06 3.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.652 ' HB3' HD11 ' A' ' 77' ' ' LEU . 1.5 mm? -60.81 147.41 42.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.603 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -101.98 139.28 37.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -68.26 -73.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.409 ' HA ' ' CA ' ' A' ' 79' ' ' GLY . 19.5 tt0 -42.79 -57.89 2.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -38.93 -68.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.652 HD11 ' HB3' ' A' ' 72' ' ' LEU . 3.6 mt -65.74 -74.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 6.9 p -154.36 91.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.409 ' CA ' ' HA ' ' A' ' 75' ' ' GLU . . . -41.41 -45.18 4.22 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.19 69.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 0.734 . . . . 0.0 110.013 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.9 m -128.21 159.79 34.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.48 ' HA ' ' C ' ' A' ' 83' ' ' PRO . 2.7 t30 -136.91 140.85 32.86 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.48 ' C ' ' HA ' ' A' ' 82' ' ' ASN . 18.3 Cg_endo -74.97 142.6 75.25 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.025 -2.49 . . . . 0.0 111.013 -0.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.63 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -86.61 97.95 10.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 108.332 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 103' ' ' ILE . 86.9 mt -135.24 138.55 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.539 ' HG ' HD22 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -71.71 149.3 45.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -107.21 110.66 22.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.577 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.581 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 4.2 p90 -148.81 169.22 20.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -150.9 163.66 38.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.945 HG21 HD21 ' A' ' 30' ' ' LEU . 42.1 t -109.72 115.02 48.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.718 HD13 ' CE1' ' A' ' 98' ' ' PHE . 8.4 tp -86.6 134.81 33.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.579 ' N ' HD12 ' A' ' 91' ' ' LEU . 95.5 mt -124.82 146.83 49.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 94' ' ' SER . 0.4 OUTLIER -99.27 175.19 5.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.351 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 93' ' ' LYS . 35.5 p -34.88 111.53 0.42 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 94' ' ' SER . 18.2 Cg_endo -75.02 122.77 8.47 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.99 0.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.1 t -57.31 132.67 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.404 ' HG2' ' N ' ' A' ' 98' ' ' PHE . 52.5 tt0 -163.08 159.29 23.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.718 ' CE1' HD13 ' A' ' 91' ' ' LEU . 90.9 m-85 -137.01 155.52 49.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.943 HG23 HG21 ' A' ' 12' ' ' THR . 3.8 mp -125.38 164.67 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.588 ' O ' HG22 ' A' ' 12' ' ' THR . 21.5 mt-30 -118.55 78.9 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.581 ' HA3' ' CZ ' ' A' ' 88' ' ' PHE . . . -80.48 164.69 47.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.666 ' OE2' ' HB2' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -137.07 153.86 50.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.567 ' O ' HG23 ' A' ' 85' ' ' ILE . 11.2 mt -125.91 101.48 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 15' ' ' TYR . 4.6 mt-30 -77.07 120.54 22.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.711 HD12 ' HG2' ' A' ' 19' ' ' GLU . 4.6 mm? -74.43 138.12 43.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -55.2 117.73 3.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -78.47 146.41 34.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.2 t -86.65 106.03 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -146.61 165.76 28.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.6 p-10 -72.72 90.53 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -78.8 140.23 38.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.605 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -143.7 148.54 43.41 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 160.9 39.69 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -123.22 158.2 31.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.482 ' CD2' ' O ' ' A' ' 116' ' ' MET . 32.8 p90 -109.91 -13.04 14.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.482 ' O ' ' CD2' ' A' ' 115' ' ' PHE . 0.3 OUTLIER 60.39 149.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -136.76 144.39 43.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.49 153.11 31.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.99 170.4 15.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.9 p -148.33 163.26 37.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -147.88 154.03 25.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -176.42 2.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.91 166.07 24.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.108 . . . . 0.0 109.978 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.85 164.18 12.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.978 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.973 . . . . . . . . 0 0 . 1 stop_ save_